1-(pentanoylamino)cyclobutane-1-carboxylic acid

C10H17NO3 — CID 81164926

IUPAC1-(pentanoylamino)cyclobutane-1-carboxylic acid
SMILESCCCCC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO3/c1-2-3-5-8(12)11-10(9(13)14)6-4-7-10/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyDVGFYYPFHUEKDO-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.30
Rot. Bonds5

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

1-(pentanoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81164926) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(pentanoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pentanoylamino)cyclobutane-1-carboxylic acid
PubChem CID81164926
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(pentanoylamino)cyclobutane-1-carboxylic acid
SMILESCCCCC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO3/c1-2-3-5-8(12)11-10(9(13)14)6-4-7-10/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyDVGFYYPFHUEKDO-UHFFFAOYSA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-[[(E)-octadec-9-enoyl]amino]cyclohexane-1-carboxylic acid
CID 110188216
1-(3-butylsulfanylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119176584
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-[(2-butylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid
CID 43360681
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
CID 115910145

Frequently Asked Questions

What is the IUPAC name of 1-(pentanoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(pentanoylamino)cyclobutane-1-carboxylic acid (CID 81164926) is 1-(pentanoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(pentanoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(pentanoylamino)cyclobutane-1-carboxylic acid is CCCCC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(pentanoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is DVGFYYPFHUEKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-5-8(12)11-10(9(13)14)6-4-7-10/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 1-(pentanoylamino)cyclobutane-1-carboxylic acid?
1-(pentanoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentanoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).