3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid

C10H12N2O4 — CID 171238555

IUPAC3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
SMILESCOC(=O)[C@@H](N)Cc1cccnc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-16-10(15)7(11)5-6-3-2-4-12-8(6)9(13)14/h2-4,7H,5,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyNLROKXZFOWFROV-ZETCQYMHSA-N
MW224.22 g/mol
LogP-0.18
Rot. Bonds4

About 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid

3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid (PubChem CID 171238555) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
PubChem CID171238555
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
SMILESCOC(=O)[C@@H](N)Cc1cccnc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-16-10(15)7(11)5-6-3-2-4-12-8(6)9(13)14/h2-4,7H,5,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyNLROKXZFOWFROV-ZETCQYMHSA-N
XLogP-0.18
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid
CID 140701311
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
2-[(2S)-2-amino-3-methoxy-3-oxopropyl]-6-fluorobenzoic acid
CID 171238482
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
methyl 2-[(2S)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 171238353
methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate
CID 90931571
methyl 2-[(2R)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 151281011
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
3-(methylsulfonylmethyl)pyridine-2-carboxylic acid
CID 153267401

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid (CID 171238555) is 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid is COC(=O)[C@@H](N)Cc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid?
The InChIKey is NLROKXZFOWFROV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-10(15)7(11)5-6-3-2-4-12-8(6)9(13)14/h2-4,7H,5,11H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid?
3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 171238555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).