methyl (3S)-3-amino-4-methoxybutanoate

C6H13NO3 — CID 53259996

IUPACmethyl (3S)-3-amino-4-methoxybutanoate
SMILESCOC[C@@H](N)CC(=O)OC
InChIInChI=1S/C6H13NO3/c1-9-4-5(7)3-6(8)10-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyKIMZHAIJRACTFU-YFKPBYRVSA-N
MW147.17 g/mol
LogP-0.48
Rot. Bonds4

About methyl (3S)-3-amino-4-methoxybutanoate

methyl (3S)-3-amino-4-methoxybutanoate (PubChem CID 53259996) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl (3S)-3-amino-4-methoxybutanoate.

Molecular Properties

Compound Namemethyl (3S)-3-amino-4-methoxybutanoate
PubChem CID53259996
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl (3S)-3-amino-4-methoxybutanoate
SMILESCOC[C@@H](N)CC(=O)OC
InChIInChI=1S/C6H13NO3/c1-9-4-5(7)3-6(8)10-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyKIMZHAIJRACTFU-YFKPBYRVSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-amino-4-methoxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;methyl (3S)-3-amino-4-methoxybutanoate
CID 53259995
methyl 3-amino-4-propan-2-yloxybutanoate
CID 116821262
methyl 3-amino-4-ethoxybutanoate
CID 116821263
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
dimethyl 3,7,11,15-tetraamino-5,9,13-trihydroxyheptadecanedioate
CID 57204139
dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
CID 88760531
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
dimethyl (2R)-2-aminobutanedioate
CID 6994535

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-4-methoxybutanoate?
The IUPAC name of methyl (3S)-3-amino-4-methoxybutanoate (CID 53259996) is methyl (3S)-3-amino-4-methoxybutanoate.
What is the SMILES notation for methyl (3S)-3-amino-4-methoxybutanoate?
The canonical SMILES for methyl (3S)-3-amino-4-methoxybutanoate is COC[C@@H](N)CC(=O)OC.
What is the InChIKey of methyl (3S)-3-amino-4-methoxybutanoate?
The InChIKey is KIMZHAIJRACTFU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-9-4-5(7)3-6(8)10-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1.
What are the key properties of methyl (3S)-3-amino-4-methoxybutanoate?
methyl (3S)-3-amino-4-methoxybutanoate has a molecular weight of 147.17 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-4-methoxybutanoate is sourced from PubChem (CID 53259996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).