1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H19NO3 — CID 79872847

IUPAC1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-11(2)5-3-4-8(11)13-9(14)12(6-7-12)10(15)16/h8H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOJUJHFPQLFYRCX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds3

About 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 79872847) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID79872847
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-11(2)5-3-4-8(11)13-9(14)12(6-7-12)10(15)16/h8H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOJUJHFPQLFYRCX-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-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-carbamothioyl-N-(2,2-dimethylcyclopentyl)cycloheptane-1-carboxamide
CID 79878078
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
2-amino-N-(2,2-dimethylcyclohexyl)-1-methylcyclopentane-1-carboxamide
CID 82768367
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 79872847) is 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)CCCC1NC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OJUJHFPQLFYRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-11(2)5-3-4-8(11)13-9(14)12(6-7-12)10(15)16/h8H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79872847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).