1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C13H21N3O4 — CID 115434341

IUPAC1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C1CCC(NC(=O)NCC2(C(=O)O)CCCC2)CN1
InChIInChI=1S/C13H21N3O4/c17-10-4-3-9(7-14-10)16-12(20)15-8-13(11(18)19)5-1-2-6-13/h9H,1-8H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyXKHCQDGSGVDHHU-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.21
Rot. Bonds4

About 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434341) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434341
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C1CCC(NC(=O)NCC2(C(=O)O)CCCC2)CN1
InChIInChI=1S/C13H21N3O4/c17-10-4-3-9(7-14-10)16-12(20)15-8-13(11(18)19)5-1-2-6-13/h9H,1-8H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyXKHCQDGSGVDHHU-UHFFFAOYSA-N
XLogP0.21
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic 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

1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114156297
1-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 63661531
1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea
CID 71971487
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464
1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 114155350
1-amino-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307576
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449520
1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446550
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446882
1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436966

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115434341) is 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C1CCC(NC(=O)NCC2(C(=O)O)CCCC2)CN1.
What is the InChIKey of 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XKHCQDGSGVDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-10-4-3-9(7-14-10)16-12(20)15-8-13(11(18)19)5-1-2-6-13/h9H,1-8H2,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).