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

C11H17NO3 — CID 130555726

IUPAC2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)CCC1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2)4-3-8(11)12-9(13)6-5-7(6)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNCPFZEQZAPNETH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

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

2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 130555726) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID130555726
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)CCC1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2)4-3-8(11)12-9(13)6-5-7(6)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNCPFZEQZAPNETH-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2,2-dimethylcyclobutyl)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

2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid
CID 130556320
2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119187245
3-[(2,2-dimethylcyclobutyl)amino]-2,3-dioxopropanoic acid
CID 131134204
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790364
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
3-[(2,2-dimethylcyclopentyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 79860935
N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
CID 130556653

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 130555726) is 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)CCC1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is NCPFZEQZAPNETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2)4-3-8(11)12-9(13)6-5-7(6)10(14)15/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130555726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).