4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid

C15H18ClNO3 — CID 43355005

IUPAC4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C15H18ClNO3/c16-12-5-1-4-11(10-12)15(7-3-8-15)14(20)17-9-2-6-13(18)19/h1,4-5,10H,2-3,6-9H2,(H,17,20)(H,18,19)
InChIKeyVMGMVJIUCBBZIY-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.74
Rot. Bonds6

About 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid

4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid (PubChem CID 43355005) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
PubChem CID43355005
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C15H18ClNO3/c16-12-5-1-4-11(10-12)15(7-3-8-15)14(20)17-9-2-6-13(18)19/h1,4-5,10H,2-3,6-9H2,(H,17,20)(H,18,19)
InChIKeyVMGMVJIUCBBZIY-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.74
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

5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
CID 55567582
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-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxamide
CID 86950652

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid?
The IUPAC name of 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid (CID 43355005) is 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid?
The InChIKey is VMGMVJIUCBBZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-5-1-4-11(10-12)15(7-3-8-15)14(20)17-9-2-6-13(18)19/h1,4-5,10H,2-3,6-9H2,(H,17,20)(H,18,19).
What are the key properties of 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid?
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 43355005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).