CAS
903094-22-4 Purity
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903094-22-4 Purity
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Methyl 5-(tert-butoxycarbonylamino)piperidine-3-carboxylate
CAS
903094-67-7
Catalog Number
ACM903094677
Category
Other Products
Molecular Weight
258.316
Molecular Formula
C12H22N2O4
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Specification
Synonyms
Methyl 5-(tert-butoxycarbonylamino)piperidine-3-carboxylate, 5-tert-Butoxycarbonylamino-piperidine-3-carboxylic acid methyl ester, 903094-67-7, CTK6J1060, MolPort-005-941-945, AKOS015949530, AG-A-87145, QC-4836, RP07613, FT-0685040, Y4625, methyl 5-[(tert-butoxycarbonyl)amino]piperidine-3-carboxylate
IUPAC Name
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)NC1CC(CNC1)C(=O)OC
InChI Key
NFLXTMHXWFFYGU-UHFFFAOYSA-N
Exact Mass
258.15800
H-Bond Acceptor
5
H-Bond Donor
2
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate.
What is the molecular formula of the compound?
The molecular formula of the compound is C12H22N2O4.
What is the molecular weight of the compound?
The molecular weight of the compound is 258.31 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-9-5-8(6-13-7-9)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16).
What is the InChIKey of the compound?
The InChIKey of the compound is NFLXTMHXWFFYGU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)(C)OC(=O)NC1CC(CNC1)C(=O)OC.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.6.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
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903094-57-5 Purity
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903094-68-8 Purity
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903094-68-8 Purity
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903094-72-4 Purity
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903094-72-4 Purity
96%
