1-(butanoylamino)cyclobutane-1-carboxylic acid

C9H15NO3 — CID 81158952

IUPAC1-(butanoylamino)cyclobutane-1-carboxylic acid
SMILESCCCC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H15NO3/c1-2-4-7(11)10-9(8(12)13)5-3-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyZEIWESJGYYFIKO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.91
Rot. Bonds4

About 1-(butanoylamino)cyclobutane-1-carboxylic acid

1-(butanoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81158952) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(butanoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(butanoylamino)cyclobutane-1-carboxylic acid
PubChem CID81158952
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(butanoylamino)cyclobutane-1-carboxylic acid
SMILESCCCC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H15NO3/c1-2-4-7(11)10-9(8(12)13)5-3-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyZEIWESJGYYFIKO-UHFFFAOYSA-N
XLogP0.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(butanoylamino)cyclobutane-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-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid
CID 115910174
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
1-(3-butylsulfanylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119176584
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 61160411

Frequently Asked Questions

What is the IUPAC name of 1-(butanoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(butanoylamino)cyclobutane-1-carboxylic acid (CID 81158952) is 1-(butanoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(butanoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(butanoylamino)cyclobutane-1-carboxylic acid is CCCC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(butanoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is ZEIWESJGYYFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-4-7(11)10-9(8(12)13)5-3-6-9/h2-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 1-(butanoylamino)cyclobutane-1-carboxylic acid?
1-(butanoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butanoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).