5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid

C14H18N2O5 — CID 102865413

IUPAC5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)N(CCO)C2CCC2)ccc1O
InChIInChI=1S/C14H18N2O5/c17-7-6-16(10-2-1-3-10)14(21)15-9-4-5-12(18)11(8-9)13(19)20/h4-5,8,10,17-18H,1-3,6-7H2,(H,15,21)(H,19,20)
InChIKeyVWQBSLFEFYLZNO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.47
Rot. Bonds5

About 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid

5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid (PubChem CID 102865413) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
PubChem CID102865413
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)N(CCO)C2CCC2)ccc1O
InChIInChI=1S/C14H18N2O5/c17-7-6-16(10-2-1-3-10)14(21)15-9-4-5-12(18)11(8-9)13(19)20/h4-5,8,10,17-18H,1-3,6-7H2,(H,15,21)(H,19,20)
InChIKeyVWQBSLFEFYLZNO-UHFFFAOYSA-N
XLogP1.47
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 107400253
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
3-bromo-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865496
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
5-[[butyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61442800

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid (CID 102865413) is 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)N(CCO)C2CCC2)ccc1O.
What is the InChIKey of 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is VWQBSLFEFYLZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-7-6-16(10-2-1-3-10)14(21)15-9-4-5-12(18)11(8-9)13(19)20/h4-5,8,10,17-18H,1-3,6-7H2,(H,15,21)(H,19,20).
What are the key properties of 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 102865413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).