2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid

C17H22N2O4 — CID 122100552

IUPAC2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid
SMILESCOc1ccccc1N1CCC(N(C2CC2)C(C)C(=O)O)C1=O
InChIInChI=1S/C17H22N2O4/c1-11(17(21)22)19(12-7-8-12)14-9-10-18(16(14)20)13-5-3-4-6-15(13)23-2/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyXJJFGLSWDHJTNS-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.74
Rot. Bonds6

About 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid

2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid (PubChem CID 122100552) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid
PubChem CID122100552
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid
SMILESCOc1ccccc1N1CCC(N(C2CC2)C(C)C(=O)O)C1=O
InChIInChI=1S/C17H22N2O4/c1-11(17(21)22)19(12-7-8-12)14-9-10-18(16(14)20)13-5-3-4-6-15(13)23-2/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyXJJFGLSWDHJTNS-UHFFFAOYSA-N
XLogP1.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]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

(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
CID 129466790
(3R)-3-[ethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 99837331
(3R)-3-[ethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 124625064
1-(2-methoxyphenyl)-3-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrrolidin-2-one
CID 136546454
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
CID 125450904
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
(2S)-2-[[(3S)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125120844
(2R)-2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125120843
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid (CID 122100552) is 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid is COc1ccccc1N1CCC(N(C2CC2)C(C)C(=O)O)C1=O.
What is the InChIKey of 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid?
The InChIKey is XJJFGLSWDHJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(17(21)22)19(12-7-8-12)14-9-10-18(16(14)20)13-5-3-4-6-15(13)23-2/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid?
2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid has a molecular weight of 318.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]propanoic acid is sourced from PubChem (CID 122100552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).