(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid

C11H14N2O4 — CID 62828512

IUPAC(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCc1ccc(C(=O)N[C@@H](CO)C(=O)O)c(C)n1
InChIInChI=1S/C11H14N2O4/c1-6-3-4-8(7(2)12-6)10(15)13-9(5-14)11(16)17/h3-4,9,14H,5H2,1-2H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyWDCZXBNDGRBXCZ-VIFPVBQESA-N
MW238.24 g/mol
LogP-0.13
Rot. Bonds4

About (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid

(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 62828512) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID62828512
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCc1ccc(C(=O)N[C@@H](CO)C(=O)O)c(C)n1
InChIInChI=1S/C11H14N2O4/c1-6-3-4-8(7(2)12-6)10(15)13-9(5-14)11(16)17/h3-4,9,14H,5H2,1-2H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyWDCZXBNDGRBXCZ-VIFPVBQESA-N
XLogP-0.13
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62829195
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoic acid
CID 656417
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127
N-(1-hydroxypropan-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78856776
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid (CID 62828512) is (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid is Cc1ccc(C(=O)N[C@@H](CO)C(=O)O)c(C)n1.
What is the InChIKey of (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is WDCZXBNDGRBXCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-3-4-8(7(2)12-6)10(15)13-9(5-14)11(16)17/h3-4,9,14H,5H2,1-2H3,(H,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 62828512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).