(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid

C16H17NO3 — CID 125491469

IUPAC(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
SMILESCOc1cccc(CC[C@H](C(=O)O)c2cccnc2)c1
InChIInChI=1S/C16H17NO3/c1-20-14-6-2-4-12(10-14)7-8-15(16(18)19)13-5-3-9-17-11-13/h2-6,9-11,15H,7-8H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyBCAITDWGCCGTAW-HNNXBMFYSA-N
MW271.32 g/mol
LogP2.89
Rot. Bonds6

About (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid

(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid (PubChem CID 125491469) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
PubChem CID125491469
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
SMILESCOc1cccc(CC[C@H](C(=O)O)c2cccnc2)c1
InChIInChI=1S/C16H17NO3/c1-20-14-6-2-4-12(10-14)7-8-15(16(18)19)13-5-3-9-17-11-13/h2-6,9-11,15H,7-8H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyBCAITDWGCCGTAW-HNNXBMFYSA-N
XLogP2.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic 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

(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
CID 125466001
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid?
The IUPAC name of (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid (CID 125491469) is (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid.
What is the SMILES notation for (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid?
The canonical SMILES for (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid is COc1cccc(CC[C@H](C(=O)O)c2cccnc2)c1.
What is the InChIKey of (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid?
The InChIKey is BCAITDWGCCGTAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-14-6-2-4-12(10-14)7-8-15(16(18)19)13-5-3-9-17-11-13/h2-6,9-11,15H,7-8H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid?
(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 125491469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).