1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid

C10H17NO3 — CID 81362512

IUPAC1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO3/c1-2-4-8(12)11-7-10(9(13)14)5-3-6-10/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyNVYWHPZWEDWNAG-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds5

About 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362512) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID81362512
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO3/c1-2-4-8(12)11-7-10(9(13)14)5-3-6-10/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyNVYWHPZWEDWNAG-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[(3-methylsulfanylpropanoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443463
1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361686
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
1-[[7-[(1S,2S)-2-octylcyclopentyl]heptanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 22799867
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445

Frequently Asked Questions

What is the IUPAC name of 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid (CID 81362512) is 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid is CCCC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is NVYWHPZWEDWNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-4-8(12)11-7-10(9(13)14)5-3-6-10/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).