methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate

C9H12N2O3 — CID 130704995

IUPACmethyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate
SMILESCOC(=O)[C@@](C)(N)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-9(10,8(13)14-2)6-3-4-11-7(12)5-6/h3-5H,10H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyLGCLVCPPVXZCMU-VIFPVBQESA-N
MW196.21 g/mol
LogP-0.28
Rot. Bonds2

About methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate

methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate (PubChem CID 130704995) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate
PubChem CID130704995
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate
SMILESCOC(=O)[C@@](C)(N)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-9(10,8(13)14-2)6-3-4-11-7(12)5-6/h3-5H,10H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyLGCLVCPPVXZCMU-VIFPVBQESA-N
XLogP-0.28
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
methyl (2S)-2-amino-2-(2-bromo-4-pyridinyl)propanoate
CID 131080958
methyl (2S)-2-amino-2-(5-cyanothiophen-3-yl)propanoate
CID 131123203
methyl 2-amino-2-(5-methyl-1H-pyrrol-2-yl)propanoate
CID 130061006
N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106140156
methyl 2-amino-2-(1-benzothiophen-2-yl)propanoate;hydrochloride
CID 66813077
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate
CID 90144131

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate?
The IUPAC name of methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate (CID 130704995) is methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate is COC(=O)[C@@](C)(N)c1cc[nH]c(=O)c1.
What is the InChIKey of methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate?
The InChIKey is LGCLVCPPVXZCMU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(10,8(13)14-2)6-3-4-11-7(12)5-6/h3-5H,10H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate?
methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate has a molecular weight of 196.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(2-oxo-1H-pyridin-4-yl)propanoate is sourced from PubChem (CID 130704995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).