2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid

C15H18ClNO4 — CID 81165285

IUPAC2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H18ClNO4/c1-21-12-4-3-10(16)7-11(12)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFALXAFRUBBIWHN-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.72
Rot. Bonds6

About 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81165285) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81165285
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H18ClNO4/c1-21-12-4-3-10(16)7-11(12)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFALXAFRUBBIWHN-UHFFFAOYSA-N
XLogP2.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107207923
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957154
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methoxybenzamide
CID 146080294
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid (CID 81165285) is 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid is COc1ccc(Cl)cc1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is FALXAFRUBBIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-21-12-4-3-10(16)7-11(12)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).