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

C15H19NO4 — CID 79849172

IUPAC2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
SMILESCCOc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-20-12-6-4-11(5-7-12)14(19)16-15(8-3-9-15)10-13(17)18/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyBCCLVKRUSKKXLH-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.21
Rot. Bonds6

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

2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 79849172) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
PubChem CID79849172
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
SMILESCCOc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-20-12-6-4-11(5-7-12)14(19)16-15(8-3-9-15)10-13(17)18/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyBCCLVKRUSKKXLH-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
N-[4-(bromomethyl)oxan-4-yl]-4-ethoxybenzamide
CID 106300875
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 120521880
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid (CID 79849172) is 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid is CCOc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is BCCLVKRUSKKXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-12-6-4-11(5-7-12)14(19)16-15(8-3-9-15)10-13(17)18/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79849172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).