(2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid

C10H14N2O3 — CID 172529444

IUPAC(2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid
SMILESCN[C@@H](Cc1ccc(=O)n(C)c1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-11-8(10(14)15)5-7-3-4-9(13)12(2)6-7/h3-4,6,8,11H,5H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyXYLHYKQQNDKVCG-QMMMGPOBSA-N
MW210.23 g/mol
LogP-0.40
Rot. Bonds4

About (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid

(2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid (PubChem CID 172529444) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid
PubChem CID172529444
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid
SMILESCN[C@@H](Cc1ccc(=O)n(C)c1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-11-8(10(14)15)5-7-3-4-9(13)12(2)6-7/h3-4,6,8,11H,5H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyXYLHYKQQNDKVCG-QMMMGPOBSA-N
XLogP-0.40
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(6-hydroxypyridin-3-yl)propanoic acid
CID 10397426
(2R)-2-amino-3-(6-hydroxypyridin-3-yl)propanoic acid
CID 55291923
2-Amino-3-(1-hydroxy-6-oxo-3-pyridinyl)propanoic acid;hydrochloride
CID 172464761
(2R)-2-amino-3-(1-hydroxy-6-oxo-3-pyridinyl)propanoic acid;hydrochloride
CID 172466559
(2S)-2-amino-3-(1-hydroxy-6-oxo-3-pyridinyl)propanoic acid;hydrochloride
CID 172467493
(2S)-2-amino-3-(1-hydroxy-6-oxo-3-pyridinyl)propanoic acid
CID 172467494
2-{[(Tert-butoxy)carbonyl]amino}-3-(2-hydroxypyridin-4-yl)propanoic acid
CID 137942802
2-Amino-3-(2-hydroxypyridin-4-yl)propanoic acid dihydrochloride
CID 137944550
2-Amino-3-(6-hydroxypyridin-3-yl)propanoic acid dihydrochloride
CID 137946056
2-Amino-3-(6-hydroxypyridin-3-yl)propanoic acid
CID 22326318
2-Amino-3-(2-hydroxypyridin-4-yl)propanoic acid
CID 10081037
2-Amino-3-(2-hydroxypyridin-3-yl)propanoic acid
CID 22326309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid (CID 172529444) is (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid is CN[C@@H](Cc1ccc(=O)n(C)c1)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid?
The InChIKey is XYLHYKQQNDKVCG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-8(10(14)15)5-7-3-4-9(13)12(2)6-7/h3-4,6,8,11H,5H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid?
(2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-(1-methyl-6-oxo-3-pyridinyl)propanoic acid is sourced from PubChem (CID 172529444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).