(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid

C14H14N2O2 — CID 171702919

IUPAC(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1cccc(-c2cccnc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O2/c15-13(14(17)18)8-10-3-1-4-11(7-10)12-5-2-6-16-9-12/h1-7,9,13H,8,15H2,(H,17,18)/t13-/m0/s1
InChIKeyGBCMZCWYDSFWKS-ZDUSSCGKSA-N
MW242.28 g/mol
LogP1.70
Rot. Bonds4

About (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid

(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid (PubChem CID 171702919) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
PubChem CID171702919
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1cccc(-c2cccnc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O2/c15-13(14(17)18)8-10-3-1-4-11(7-10)12-5-2-6-16-9-12/h1-7,9,13H,8,15H2,(H,17,18)/t13-/m0/s1
InChIKeyGBCMZCWYDSFWKS-ZDUSSCGKSA-N
XLogP1.70
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
1-(3-pyridin-3-ylphenyl)propan-2-amine
CID 131562841
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
CID 11509081
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
CID 135330870
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-[3,5-dichloro-4-[[5-methoxy-2-[(3-pyridin-3-ylphenyl)methoxy]phenyl]methoxy]phenyl]propanoic acid
CID 171481954
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid (CID 171702919) is (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid is N[C@@H](Cc1cccc(-c2cccnc2)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid?
The InChIKey is GBCMZCWYDSFWKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13(14(17)18)8-10-3-1-4-11(7-10)12-5-2-6-16-9-12/h1-7,9,13H,8,15H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid?
(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid has a molecular weight of 242.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 171702919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).