(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid

C11H14N2O3 — CID 94540901

IUPAC(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC[C@H](C)C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)6-12-10(14)9-5-3-4-8(2)13-9/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyMUFRYHMNKKUMCR-ZETCQYMHSA-N
MW222.24 g/mol
LogP0.84
Rot. Bonds4

About (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid

(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 94540901) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID94540901
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC[C@H](C)C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)6-12-10(14)9-5-3-4-8(2)13-9/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyMUFRYHMNKKUMCR-ZETCQYMHSA-N
XLogP0.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
CID 107157522
2-methyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120525800
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940
6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 136518357

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid (CID 94540901) is (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid is Cc1cccc(C(=O)NC[C@H](C)C(=O)O)n1.
What is the InChIKey of (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is MUFRYHMNKKUMCR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(11(15)16)6-12-10(14)9-5-3-4-8(2)13-9/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 94540901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).