2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid

C15H18N2O2 — CID 175376493

IUPAC2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
SMILESCNC(Cc1cccc(N2C=CC=CC2)c1)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-16-14(15(18)19)11-12-6-5-7-13(10-12)17-8-3-2-4-9-17/h2-8,10,14,16H,9,11H2,1H3,(H,18,19)
InChIKeyBQVKQZGYBRJVRQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.79
Rot. Bonds5

About 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid

2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid (PubChem CID 175376493) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
PubChem CID175376493
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
SMILESCNC(Cc1cccc(N2C=CC=CC2)c1)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-16-14(15(18)19)11-12-6-5-7-13(10-12)17-8-3-2-4-9-17/h2-8,10,14,16H,9,11H2,1H3,(H,18,19)
InChIKeyBQVKQZGYBRJVRQ-UHFFFAOYSA-N
XLogP1.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
CID 175377227
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929
2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid
CID 143394001
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
(2S)-3-(4-hydroxy-3-methylphenyl)-2-(methylamino)propanoic acid
CID 57173897
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
(2S)-3-[4-[(4-formylphenyl)methyl]phenyl]-2-(methylamino)propanoic acid
CID 87405104
(2S)-3-(4-hydroxy-3-iodophenyl)-2-(methylamino)propanoic acid
CID 59075719
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid (CID 175376493) is 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid is CNC(Cc1cccc(N2C=CC=CC2)c1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
The InChIKey is BQVKQZGYBRJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-14(15(18)19)11-12-6-5-7-13(10-12)17-8-3-2-4-9-17/h2-8,10,14,16H,9,11H2,1H3,(H,18,19).
What are the key properties of 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 175376493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).