2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid

C15H19NO4 — CID 79848221

IUPAC2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
SMILESCOCc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H19NO4/c1-20-10-11-4-2-5-12(8-11)14(19)16-15(6-3-7-15)9-13(17)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyCUDNJOVEXBCKGG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.96
Rot. Bonds6

About 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid

2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid (PubChem CID 79848221) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
PubChem CID79848221
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
SMILESCOCc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H19NO4/c1-20-10-11-4-2-5-12(8-11)14(19)16-15(6-3-7-15)9-13(17)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyCUDNJOVEXBCKGG-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
CID 79842234
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
3-(methoxymethyl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 51316458
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 120522038
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844002

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid (CID 79848221) is 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid is COCc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1.
What is the InChIKey of 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid?
The InChIKey is CUDNJOVEXBCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-10-11-4-2-5-12(8-11)14(19)16-15(6-3-7-15)9-13(17)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid?
2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).