5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid

C16H20ClNO3 — CID 62032503

IUPAC5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H20ClNO3/c17-13-6-3-5-12(11-13)16(8-4-9-16)15(21)18-10-2-1-7-14(19)20/h3,5-6,11H,1-2,4,7-10H2,(H,18,21)(H,19,20)
InChIKeyKDGIREZYUKAJKM-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.13
Rot. Bonds7

About 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid

5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid (PubChem CID 62032503) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
PubChem CID62032503
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H20ClNO3/c17-13-6-3-5-12(11-13)16(8-4-9-16)15(21)18-10-2-1-7-14(19)20/h3,5-6,11H,1-2,4,7-10H2,(H,18,21)(H,19,20)
InChIKeyKDGIREZYUKAJKM-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
CID 55567582
1-(3-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxamide
CID 86950652

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid (CID 62032503) is 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid?
The InChIKey is KDGIREZYUKAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-6-3-5-12(11-13)16(8-4-9-16)15(21)18-10-2-1-7-14(19)20/h3,5-6,11H,1-2,4,7-10H2,(H,18,21)(H,19,20).
What are the key properties of 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid?
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid has a molecular weight of 309.79 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 62032503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).