1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

C13H15NO4 — CID 115445281

IUPAC1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1ccc(O)cc1
InChIInChI=1S/C13H15NO4/c15-10-4-2-9(3-5-10)11(16)14-8-13(12(17)18)6-1-7-13/h2-5,15H,1,6-8H2,(H,14,16)(H,17,18)
InChIKeyQLXGBKQSDNTTGW-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.38
Rot. Bonds4

About 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445281) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445281
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)c1ccc(O)cc1
InChIInChI=1S/C13H15NO4/c15-10-4-2-9(3-5-10)11(16)14-8-13(12(17)18)6-1-7-13/h2-5,15H,1,6-8H2,(H,14,16)(H,17,18)
InChIKeyQLXGBKQSDNTTGW-UHFFFAOYSA-N
XLogP1.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-[[(3-chloro-4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445158
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445142
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
1-[[(3,5-dibromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 107971653
1-[[(3-amino-4-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445882

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445281) is 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)c1ccc(O)cc1.
What is the InChIKey of 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is QLXGBKQSDNTTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-10-4-2-9(3-5-10)11(16)14-8-13(12(17)18)6-1-7-13/h2-5,15H,1,6-8H2,(H,14,16)(H,17,18).
What are the key properties of 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).