4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid

C14H18ClNO2 — CID 60782735

IUPAC4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
SMILESO=C(O)CCCNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c15-12-4-1-3-10(7-12)11-8-13(9-11)16-6-2-5-14(17)18/h1,3-4,7,11,13,16H,2,5-6,8-9H2,(H,17,18)
InChIKeyIKYCPBPMBIASOT-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.04
Rot. Bonds6

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

4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid (PubChem CID 60782735) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
PubChem CID60782735
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
SMILESO=C(O)CCCNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c15-12-4-1-3-10(7-12)11-8-13(9-11)16-6-2-5-14(17)18/h1,3-4,7,11,13,16H,2,5-6,8-9H2,(H,17,18)
InChIKeyIKYCPBPMBIASOT-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.04
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

3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
2-[3-[[3-(3-chlorophenyl)cyclobutyl]carbamoyl]phenyl]acetic acid
CID 146130635
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831
3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79756518
3-[[3-(3-chlorophenyl)cyclopentyl]carbamoyl-methylamino]propanoic acid
CID 122017047
4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
CID 43635176
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634506
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid?
The IUPAC name of 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid (CID 60782735) is 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid is O=C(O)CCCNC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid?
The InChIKey is IKYCPBPMBIASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-4-1-3-10(7-12)11-8-13(9-11)16-6-2-5-14(17)18/h1,3-4,7,11,13,16H,2,5-6,8-9H2,(H,17,18).
What are the key properties of 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid?
4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid has a molecular weight of 267.76 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid is sourced from PubChem (CID 60782735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).