3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C11H17N3O4 — CID 106191704

IUPAC3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C1CC(NC(=O)NC2CCC(C(=O)O)C2)CN1
InChIInChI=1S/C11H17N3O4/c15-9-4-8(5-12-9)14-11(18)13-7-2-1-6(3-7)10(16)17/h6-8H,1-5H2,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyJXSHAVORNREXHF-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.57
Rot. Bonds3

About 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106191704) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106191704
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C1CC(NC(=O)NC2CCC(C(=O)O)C2)CN1
InChIInChI=1S/C11H17N3O4/c15-9-4-8(5-12-9)14-11(18)13-7-2-1-6(3-7)10(16)17/h6-8H,1-5H2,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyJXSHAVORNREXHF-UHFFFAOYSA-N
XLogP-0.57
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106191895
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197968
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 106191753
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106191704) is 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C1CC(NC(=O)NC2CCC(C(=O)O)C2)CN1.
What is the InChIKey of 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JXSHAVORNREXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9-4-8(5-12-9)14-11(18)13-7-2-1-6(3-7)10(16)17/h6-8H,1-5H2,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106191704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).