2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid

C9H11NO4 — CID 170823470

IUPAC2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccnc(C(O)C(O)C(=O)O)c1
InChIInChI=1S/C9H11NO4/c1-5-2-3-10-6(4-5)7(11)8(12)9(13)14/h2-4,7-8,11-12H,1H3,(H,13,14)
InChIKeySLCAADBTLIFJNS-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.13
Rot. Bonds3

About 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid

2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid (PubChem CID 170823470) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
PubChem CID170823470
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccnc(C(O)C(O)C(=O)O)c1
InChIInChI=1S/C9H11NO4/c1-5-2-3-10-6(4-5)7(11)8(12)9(13)14/h2-4,7-8,11-12H,1H3,(H,13,14)
InChIKeySLCAADBTLIFJNS-UHFFFAOYSA-N
XLogP-0.13
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate
CID 175113550
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419
ethyl 3,4-dihydroxy-4-(4-methyl-2-pyridinyl)butanoate
CID 171896871
S-[2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propyl] ethanethioate
CID 170821423
2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
2-(2-carboxy-1,2-dihydroxyethyl)-5-methylbenzoic acid
CID 170824270
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
2-(methylamino)-1-(4-methyl-2-pyridinyl)ethanol
CID 82597131
4-methyl-3-(4-methyl-2-pyridinyl)pentan-2-ol
CID 63200160
2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 170823438

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid (CID 170823470) is 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid is Cc1ccnc(C(O)C(O)C(=O)O)c1.
What is the InChIKey of 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid?
The InChIKey is SLCAADBTLIFJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5-2-3-10-6(4-5)7(11)8(12)9(13)14/h2-4,7-8,11-12H,1H3,(H,13,14).
What are the key properties of 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid?
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 170823470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).