4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid

C15H19NO4 — CID 103555498

IUPAC4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
SMILESCOC1(CC(=O)Nc2ccc(C(=O)O)cc2C)CCC1
InChIInChI=1S/C15H19NO4/c1-10-8-11(14(18)19)4-5-12(10)16-13(17)9-15(20-2)6-3-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVQUJBYYBARJQKW-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.59
Rot. Bonds5

About 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid

4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid (PubChem CID 103555498) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
PubChem CID103555498
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
SMILESCOC1(CC(=O)Nc2ccc(C(=O)O)cc2C)CCC1
InChIInChI=1S/C15H19NO4/c1-10-8-11(14(18)19)4-5-12(10)16-13(17)9-15(20-2)6-3-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVQUJBYYBARJQKW-UHFFFAOYSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(1-methoxycyclobutyl)acetyl]amino]-4-methylbenzoic acid
CID 103555485
3-fluoro-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 103555628
N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555460
5-[[2-(1-methoxycyclobutyl)acetyl]amino]-2,3-dimethylbenzoic acid
CID 103555614
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558404
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid
CID 103555742
4-(4-carboxybutanoylamino)-3-methylbenzoic acid
CID 2223782
N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522079
N-(3-amino-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555368

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid?
The IUPAC name of 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid (CID 103555498) is 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid is COC1(CC(=O)Nc2ccc(C(=O)O)cc2C)CCC1.
What is the InChIKey of 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid?
The InChIKey is VQUJBYYBARJQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-8-11(14(18)19)4-5-12(10)16-13(17)9-15(20-2)6-3-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid?
4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 103555498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).