CAS
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(S)-2-Amino-3-methyl-butyric acid methyl ester
Catalog Number
ACMA00002605
Category
Ethers
Molecular Weight
131.17
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Specification
Hazard Statements
H301-H312-H315-H318-H335
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of the compound with PubChem CID 94285?
The molecular formula is C6H13NO2.
What is the molecular weight of the compound?
The molecular weight is 131.17 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is methyl (2S)-2-amino-3-methylbutanoate.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C)C(C(=O)OC)N.
What is the InChIKey of the compound?
The InChIKey is CEMZBWPSKYISTN-YFKPBYRVSA-N.
What is the CAS number of the compound?
The CAS number is 4070-48-8.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 52.3Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
How many defined atom stereocenter counts are there in the compound?
There is 1 defined atom stereocenter count.
What is the InChI key of the compound?
The InChI key is CEMZBWPSKYISTN-YFKPBYRVSA-N.
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