2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid

C13H18N2O4 — CID 54946145

IUPAC2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC(=O)N(C2CC2)C1)C1CC1
InChIInChI=1S/C13H18N2O4/c16-11-5-8(6-14(11)9-1-2-9)13(19)15(7-12(17)18)10-3-4-10/h8-10H,1-7H2,(H,17,18)
InChIKeyBPJGSWRRNABLEX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.07
Rot. Bonds5

About 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid

2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 54946145) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID54946145
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC(=O)N(C2CC2)C1)C1CC1
InChIInChI=1S/C13H18N2O4/c16-11-5-8(6-14(11)9-1-2-9)13(19)15(7-12(17)18)10-3-4-10/h8-10H,1-7H2,(H,17,18)
InChIKeyBPJGSWRRNABLEX-UHFFFAOYSA-N
XLogP0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic 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-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 129365611
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119194812
(3R)-N,1-dicyclopropyl-N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 97096733
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 119194539
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119209014
2-[[(3S)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 125150470
(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99805772
1-(1,1-dioxothian-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43614759

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid (CID 54946145) is 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1CC(=O)N(C2CC2)C1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is BPJGSWRRNABLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-11-5-8(6-14(11)9-1-2-9)13(19)15(7-12(17)18)10-3-4-10/h8-10H,1-7H2,(H,17,18).
What are the key properties of 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54946145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).