1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid

C16H16N2O3 — CID 81164274

IUPAC1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H16N2O3/c19-14(17-16(15(20)21)8-3-9-16)12-4-6-13(7-5-12)18-10-1-2-11-18/h1-2,4-7,10-11H,3,8-9H2,(H,17,19)(H,20,21)
InChIKeyRPFXAOBRUMKEMZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.21
Rot. Bonds4

About 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid

1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164274) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164274
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H16N2O3/c19-14(17-16(15(20)21)8-3-9-16)12-4-6-13(7-5-12)18-10-1-2-11-18/h1-2,4-7,10-11H,3,8-9H2,(H,17,19)(H,20,21)
InChIKeyRPFXAOBRUMKEMZ-UHFFFAOYSA-N
XLogP2.21
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120539085
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538733
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-(quinoline-6-carbonylamino)cyclobutane-1-carboxylic acid
CID 75355908
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid (CID 81164274) is 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is RPFXAOBRUMKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14(17-16(15(20)21)8-3-9-16)12-4-6-13(7-5-12)18-10-1-2-11-18/h1-2,4-7,10-11H,3,8-9H2,(H,17,19)(H,20,21).
What are the key properties of 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).