1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid

C12H21NO3 — CID 115910145

IUPAC1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)CCCC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-11(2,3)6-4-5-9(14)13-12(7-8-12)10(15)16/h4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPLHRZUKLWWCNEA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds5

About 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid

1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid (PubChem CID 115910145) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
PubChem CID115910145
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)CCCC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-11(2,3)6-4-5-9(14)13-12(7-8-12)10(15)16/h4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPLHRZUKLWWCNEA-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5,5-dimethylhexanoylamino)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-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 65292395
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
CID 65292201
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[3-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 115910125
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid (CID 115910145) is 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid is CC(C)(C)CCCC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is PLHRZUKLWWCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)6-4-5-9(14)13-12(7-8-12)10(15)16/h4-8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid?
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115910145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).