1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H20N2O4 — CID 16792762

IUPAC1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCO1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c15-10(16)12(5-1-2-6-12)14-11(17)13-8-9-4-3-7-18-9/h9H,1-8H2,(H,15,16)(H2,13,14,17)
InChIKeySBHACDPFBRESFC-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.86
Rot. Bonds4

About 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 16792762) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID16792762
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCO1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c15-10(16)12(5-1-2-6-12)14-11(17)13-8-9-4-3-7-18-9/h9H,1-8H2,(H,15,16)(H2,13,14,17)
InChIKeySBHACDPFBRESFC-UHFFFAOYSA-N
XLogP0.86
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-ylmethylcarbamoylamino)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

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 16792762) is 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCC1CCCO1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SBHACDPFBRESFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(16)12(5-1-2-6-12)14-11(17)13-8-9-4-3-7-18-9/h9H,1-8H2,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 16792762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).