2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid

C15H18N2O3 — CID 114412005

IUPAC2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC1=CCN(C(=O)NC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H18N2O3/c1-11-7-9-17(10-8-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyRUYZGOYFYSZZMB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.17
Rot. Bonds3

About 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid

2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 114412005) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID114412005
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC1=CCN(C(=O)NC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H18N2O3/c1-11-7-9-17(10-8-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyRUYZGOYFYSZZMB-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic 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)-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
CID 106315869
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
(2S)-2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 104899061
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114412030
(2S)-2-phenyl-2-(1,4-thiazepane-4-carbonylamino)acetic acid
CID 104898970
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
2-(1,4-oxazepane-4-carbonylamino)-2-phenylacetic acid
CID 62968862
5,5-dimethyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
CID 114412004
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411830

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid (CID 114412005) is 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid is CC1=CCN(C(=O)NC(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is RUYZGOYFYSZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-7-9-17(10-8-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid?
2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 114412005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).