(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid

C21H20N4O3 — CID 91232620

IUPAC(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccccc1Nc1cccnc1C(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C21H20N4O3/c22-16(21(27)28)13-14-7-4-5-10-17(14)25-18-11-6-12-23-19(18)20(26)24-15-8-2-1-3-9-15/h1-12,16,25H,13,22H2,(H,24,26)(H,27,28)/t16-/m0/s1
InChIKeyUYVHADQQPNDTEN-INIZCTEOSA-N
MW376.42 g/mol
LogP3.03
Rot. Bonds7

About (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid

(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid (PubChem CID 91232620) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid
PubChem CID91232620
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccccc1Nc1cccnc1C(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C21H20N4O3/c22-16(21(27)28)13-14-7-4-5-10-17(14)25-18-11-6-12-23-19(18)20(26)24-15-8-2-1-3-9-15/h1-12,16,25H,13,22H2,(H,24,26)(H,27,28)/t16-/m0/s1
InChIKeyUYVHADQQPNDTEN-INIZCTEOSA-N
XLogP3.03
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]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

3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
CID 141451014
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
CID 22395840
propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144649
3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
CID 171238555
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
CID 130323270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid (CID 91232620) is (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid is N[C@@H](Cc1ccccc1Nc1cccnc1C(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid?
The InChIKey is UYVHADQQPNDTEN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20N4O3/c22-16(21(27)28)13-14-7-4-5-10-17(14)25-18-11-6-12-23-19(18)20(26)24-15-8-2-1-3-9-15/h1-12,16,25H,13,22H2,(H,24,26)(H,27,28)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid?
(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid has a molecular weight of 376.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 91232620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).