1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid

C15H18ClNO4 — CID 138050337

IUPAC1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(CCCc1ccc(Cl)cc1)NC1(C(=O)O)CC(O)C1
InChIInChI=1S/C15H18ClNO4/c16-11-6-4-10(5-7-11)2-1-3-13(19)17-15(14(20)21)8-12(18)9-15/h4-7,12,18H,1-3,8-9H2,(H,17,19)(H,20,21)
InChIKeyRZRUVBZXHLVVIK-UHFFFAOYSA-N
MW311.76 g/mol
LogP1.76
Rot. Bonds6

About 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid

1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 138050337) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID138050337
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(CCCc1ccc(Cl)cc1)NC1(C(=O)O)CC(O)C1
InChIInChI=1S/C15H18ClNO4/c16-11-6-4-10(5-7-11)2-1-3-13(19)17-15(14(20)21)8-12(18)9-15/h4-7,12,18H,1-3,8-9H2,(H,17,19)(H,20,21)
InChIKeyRZRUVBZXHLVVIK-UHFFFAOYSA-N
XLogP1.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700441
1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclopropane-1-carboxylic acid
CID 65452594
6-(4-chlorophenyl)hex-1-en-3-one
CID 145267913
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
CID 82354216
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
CID 56581213
4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide
CID 110417130
1-[3-(2-bromo-5-chlorophenyl)propanoylamino]cyclopropane-1-carboxylic acid
CID 120688371
3-[4-(4-chlorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 119254555

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid (CID 138050337) is 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid is O=C(CCCc1ccc(Cl)cc1)NC1(C(=O)O)CC(O)C1.
What is the InChIKey of 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is RZRUVBZXHLVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-11-6-4-10(5-7-11)2-1-3-13(19)17-15(14(20)21)8-12(18)9-15/h4-7,12,18H,1-3,8-9H2,(H,17,19)(H,20,21).
What are the key properties of 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid?
1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)butanoylamino]-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 138050337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).