3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

C15H16Cl2N2O4 — CID 136516200

IUPAC3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCN(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C15H16Cl2N2O4/c1-18(4-3-13(20)21)14(22)12-2-5-19(15(12)23)11-7-9(16)6-10(17)8-11/h6-8,12H,2-5H2,1H3,(H,20,21)
InChIKeyZKDGVONKANWAQR-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.28
Rot. Bonds5

About 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 136516200) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID136516200
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCN(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C15H16Cl2N2O4/c1-18(4-3-13(20)21)14(22)12-2-5-19(15(12)23)11-7-9(16)6-10(17)8-11/h6-8,12H,2-5H2,1H3,(H,20,21)
InChIKeyZKDGVONKANWAQR-UHFFFAOYSA-N
XLogP2.28
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]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-[[(3S)-1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125154283
3-[[1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119362406
4-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]butanoic acid
CID 119172762
2-[[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346411
3-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 122111716
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346670
2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119171907
2-[methyl-[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119172571
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151475
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
(2S)-1-[(3R)-1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 99701725

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (CID 136516200) is 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)C1CCN(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is ZKDGVONKANWAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c1-18(4-3-13(20)21)14(22)12-2-5-19(15(12)23)11-7-9(16)6-10(17)8-11/h6-8,12H,2-5H2,1H3,(H,20,21).
What are the key properties of 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 359.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 136516200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).