1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid

C12H14ClNO2 — CID 81168085

IUPAC1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-9(3-5-10)8-14-12(11(15)16)6-1-7-12/h2-5,14H,1,6-8H2,(H,15,16)
InChIKeyAFNPZWYRQJJILB-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.44
Rot. Bonds4

About 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid

1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81168085) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID81168085
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-9(3-5-10)8-14-12(11(15)16)6-1-7-12/h2-5,14H,1,6-8H2,(H,15,16)
InChIKeyAFNPZWYRQJJILB-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-iodophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167632
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167827
3-[(4-chlorophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 162691225
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
CID 136516250
1-[[4-(4-chlorophenyl)-3-methylbutanoyl]amino]cyclobutane-1-carboxylic acid
CID 120530949
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid
CID 141243932
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452
1-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62531746

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid (CID 81168085) is 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NCc2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is AFNPZWYRQJJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-9(3-5-10)8-14-12(11(15)16)6-1-7-12/h2-5,14H,1,6-8H2,(H,15,16).
What are the key properties of 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid?
1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 239.70 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81168085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).