3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 103463220

IUPAC3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-13(2,3)8-14-12(18)15-10-6-5-9(7-10)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyPDNZQMRAQLPQBR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.98
Rot. Bonds5

About 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 103463220) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID103463220
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-13(2,3)8-14-12(18)15-10-6-5-9(7-10)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyPDNZQMRAQLPQBR-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylbutylcarbamoylamino)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

3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-[(2-ethyl-2-methylsulfanylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320429
cis-(1R,3S)-3-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320217
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043352
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
4-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007737

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 103463220) is 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid is CCC(C)(C)CNC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is PDNZQMRAQLPQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(2,3)8-14-12(18)15-10-6-5-9(7-10)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103463220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).