CAS
908334-04-3 Purity
96%
908334-04-3 Purity
96%
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(2S)-N-[(1S)-1-(Carbamoylmethylcarbamoyl)-3-methyl-butyl]pyrrolidine-2-carboxamide
CAS
9083-38-9
Catalog Number
ACM9083389
Category
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What is the molecular formula of the compound?
The molecular formula is C13H24N4O3.
What are the synonyms of the compound?
The synonyms are (2S)-N-[(1S)-1-(CARBAMOYLMETHYLCARBAMOYL)-3-METHYL-BUTYL]PYRROLIDINE-2-CARBOXAMIDE.
What is the computed IUPAC name of the compound?
The computed IUPAC name is (2S)-N-[(2S)-1-[carbamoyl(methyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the InChI of the compound?
The InChI is InChI=1S/C13H24N4O3/c1-8(2)7-10(12(19)17(3)13(14)20)16-11(18)9-5-4-6-15-9/h8-10,15H,4-7H2,1-3H3,(H2,14,20)(H,16,18)/t9-,10-/m0/s1.
What is the InChIKey of the compound?
The InChIKey is HSJJDNMHXBXZAD-UWVGGRQHSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(C)CC(C(=O)N(C)C(=O)N)NC(=O)C1CCCN1.
What is the isomeric SMILES of the compound?
The isomeric SMILES is CC(C)C[C@@H](C(=O)N(C)C(=O)N)NC(=O)[C@@H]1CCCN1.
What is the molecular weight of the compound?
The molecular weight is 284.35 g/mol.
What is the XLogP3 value of the compound?
The XLogP3 value is -0.4.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
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