5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid

C15H20N2O4 — CID 107400253

IUPAC5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCCN(CC1CCC1)C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-2-17(9-10-4-3-5-10)15(21)16-11-6-7-13(18)12(8-11)14(19)20/h6-8,10,18H,2-5,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyRZWDWDWOSQVTBL-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.74
Rot. Bonds5

About 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid

5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid (PubChem CID 107400253) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
PubChem CID107400253
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCCN(CC1CCC1)C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-2-17(9-10-4-3-5-10)15(21)16-11-6-7-13(18)12(8-11)14(19)20/h6-8,10,18H,2-5,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyRZWDWDWOSQVTBL-UHFFFAOYSA-N
XLogP2.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400209
5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 79480960
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400204
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
3-[4-(1-aminoethyl)phenyl]-1-(cyclobutylmethyl)-1-ethylurea
CID 107400737
3-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 107400276
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 107400146
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63955052

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid (CID 107400253) is 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid is CCN(CC1CCC1)C(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is RZWDWDWOSQVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-17(9-10-4-3-5-10)15(21)16-11-6-7-13(18)12(8-11)14(19)20/h6-8,10,18H,2-5,9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid?
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 107400253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).