1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

C13H14ClNO3 — CID 81362528

IUPAC1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-10-4-1-3-9(7-10)11(16)15-8-13(12(17)18)5-2-6-13/h1,3-4,7H,2,5-6,8H2,(H,15,16)(H,17,18)
InChIKeyYSQCOJPTMVOCEP-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.32
Rot. Bonds4

About 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362528) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81362528
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-10-4-1-3-9(7-10)11(16)15-8-13(12(17)18)5-2-6-13/h1,3-4,7H,2,5-6,8H2,(H,15,16)(H,17,18)
InChIKeyYSQCOJPTMVOCEP-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
1-[[(3-chloro-4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445158
1-[[(3-amino-4-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445882
1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369254
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
1-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 82833458
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide
CID 115456213
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
1-[(2H-benzotriazole-5-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362421
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
1-[[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81361760

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81362528) is 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is YSQCOJPTMVOCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-4-1-3-9(7-10)11(16)15-8-13(12(17)18)5-2-6-13/h1,3-4,7H,2,5-6,8H2,(H,15,16)(H,17,18).
What are the key properties of 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).