2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid

C24H24N2O5 — CID 66853852

IUPAC2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C24H24N2O5/c1-17(23(28)29)26-20(13-12-18-8-4-2-5-9-18)14-15-21(22(26)27)25-24(30)31-16-19-10-6-3-7-11-19/h2-11,14-15,17H,12-13,16H2,1H3,(H,25,30)(H,28,29)
InChIKeyGUFJLMXRNONSOG-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.03
Rot. Bonds8

About 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid

2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid (PubChem CID 66853852) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
PubChem CID66853852
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C24H24N2O5/c1-17(23(28)29)26-20(13-12-18-8-4-2-5-9-18)14-15-21(22(26)27)25-24(30)31-16-19-10-6-3-7-11-19/h2-11,14-15,17H,12-13,16H2,1H3,(H,25,30)(H,28,29)
InChIKeyGUFJLMXRNONSOG-UHFFFAOYSA-N
XLogP4.03
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]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-[6-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853303
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
CID 66853821
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate
CID 159674072
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 139948436
N-(6-benzyl-2-oxo-1-propan-2-yl-3-pyridinyl)-3-phenylpropanamide
CID 57296806
benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 139631472
methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 174378849
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
benzyl N-(2-iodophenyl)carbamate
CID 10959121

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid (CID 66853852) is 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid is CC(C(=O)O)n1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
The InChIKey is GUFJLMXRNONSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-17(23(28)29)26-20(13-12-18-8-4-2-5-9-18)14-15-21(22(26)27)25-24(30)31-16-19-10-6-3-7-11-19/h2-11,14-15,17H,12-13,16H2,1H3,(H,25,30)(H,28,29).
What are the key properties of 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid?
2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid has a molecular weight of 420.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 66853852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).