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

C18H25N3O4 — CID 175377227

IUPAC2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
SMILESCC(N)C(=O)O.CNC(Cc1cccc(N2C=CC=CC2)c1)C(=O)O
InChIInChI=1S/C15H18N2O2.C3H7NO2/c1-16-14(15(18)19)11-12-6-5-7-13(10-12)17-8-3-2-4-9-17;1-2(4)3(5)6/h2-8,10,14,16H,9,11H2,1H3,(H,18,19);2H,4H2,1H3,(H,5,6)
InChIKeyXCBZDVUNHPKSBV-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.21
Rot. Bonds6

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

2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid (PubChem CID 175377227) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
PubChem CID175377227
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
SMILESCC(N)C(=O)O.CNC(Cc1cccc(N2C=CC=CC2)c1)C(=O)O
InChIInChI=1S/C15H18N2O2.C3H7NO2/c1-16-14(15(18)19)11-12-6-5-7-13(10-12)17-8-3-2-4-9-17;1-2(4)3(5)6/h2-8,10,14,16H,9,11H2,1H3,(H,18,19);2H,4H2,1H3,(H,5,6)
InChIKeyXCBZDVUNHPKSBV-UHFFFAOYSA-N
XLogP1.21
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]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-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid
CID 175376493
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
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-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid (CID 175377227) is 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid is CC(N)C(=O)O.CNC(Cc1cccc(N2C=CC=CC2)c1)C(=O)O.
What is the InChIKey of 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
The InChIKey is XCBZDVUNHPKSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.C3H7NO2/c1-16-14(15(18)19)11-12-6-5-7-13(10-12)17-8-3-2-4-9-17;1-2(4)3(5)6/h2-8,10,14,16H,9,11H2,1H3,(H,18,19);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid?
2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid has a molecular weight of 347.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;2-(methylamino)-3-[3-(2H-pyridin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 175377227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).