2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid

C13H14ClNO3 — CID 79845388

IUPAC2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H14ClNO3/c14-10-4-2-9(3-5-10)12(18)15-13(6-1-7-13)8-11(16)17/h2-5H,1,6-8H2,(H,15,18)(H,16,17)
InChIKeyJZPGFGAFBLBHHV-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.47
Rot. Bonds4

About 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 79845388) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
PubChem CID79845388
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H14ClNO3/c14-10-4-2-9(3-5-10)12(18)15-13(6-1-7-13)8-11(16)17/h2-5H,1,6-8H2,(H,15,18)(H,16,17)
InChIKeyJZPGFGAFBLBHHV-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid (CID 79845388) is 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is JZPGFGAFBLBHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-4-2-9(3-5-10)12(18)15-13(6-1-7-13)8-11(16)17/h2-5H,1,6-8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 267.71 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).