(2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid

C18H16N2O4 — CID 162158359

IUPAC(2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid
SMILESCn1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)c2c(c1=O)CC=C2
InChIInChI=1S/C18H16N2O4/c1-20-10-14(12-8-5-9-13(12)17(20)22)16(21)19-15(18(23)24)11-6-3-2-4-7-11/h2-8,10,15H,9H2,1H3,(H,19,21)(H,23,24)/t15-/m0/s1
InChIKeyBFXRWTIMACDHAC-HNNXBMFYSA-N
MW324.34 g/mol
LogP1.51
Rot. Bonds4

About (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 162158359) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID162158359
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid
SMILESCn1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)c2c(c1=O)CC=C2
InChIInChI=1S/C18H16N2O4/c1-20-10-14(12-8-5-9-13(12)17(20)22)16(21)19-15(18(23)24)11-6-3-2-4-7-11/h2-8,10,15H,9H2,1H3,(H,19,21)(H,23,24)/t15-/m0/s1
InChIKeyBFXRWTIMACDHAC-HNNXBMFYSA-N
XLogP1.51
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid (CID 162158359) is (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid is Cn1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)c2c(c1=O)CC=C2.
What is the InChIKey of (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is BFXRWTIMACDHAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-20-10-14(12-8-5-9-13(12)17(20)22)16(21)19-15(18(23)24)11-6-3-2-4-7-11/h2-8,10,15H,9H2,1H3,(H,19,21)(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 324.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 162158359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).