3-(benzylcarbamoylamino)-2-hydroxybenzoic acid

C15H14N2O4 — CID 104833448

IUPAC3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
SMILESO=C(NCc1ccccc1)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C15H14N2O4/c18-13-11(14(19)20)7-4-8-12(13)17-15(21)16-9-10-5-2-1-3-6-10/h1-8,18H,9H2,(H,19,20)(H2,16,17,21)
InChIKeyPYDYZWOHYNNIET-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.41
Rot. Bonds4

About 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid

3-(benzylcarbamoylamino)-2-hydroxybenzoic acid (PubChem CID 104833448) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
PubChem CID104833448
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
SMILESO=C(NCc1ccccc1)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C15H14N2O4/c18-13-11(14(19)20)7-4-8-12(13)17-15(21)16-9-10-5-2-1-3-6-10/h1-8,18H,9H2,(H,19,20)(H2,16,17,21)
InChIKeyPYDYZWOHYNNIET-UHFFFAOYSA-N
XLogP2.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833565
2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 113458472
2-hydroxy-3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]benzoic acid
CID 104833703
2-(benzylcarbamoylamino)-3-methylbenzoic acid
CID 61182875
1-(2-aminophenyl)-3-benzylurea
CID 86135193
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid
CID 106239093
1-benzyl-3-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]urea
CID 107654444
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
3-(butan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833436
1-benzyl-3-(2,4-dihydroxyphenyl)urea
CID 69011055
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175

Frequently Asked Questions

What is the IUPAC name of 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid?
The IUPAC name of 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid (CID 104833448) is 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid is O=C(NCc1ccccc1)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid?
The InChIKey is PYDYZWOHYNNIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-11(14(19)20)7-4-8-12(13)17-15(21)16-9-10-5-2-1-3-6-10/h1-8,18H,9H2,(H,19,20)(H2,16,17,21).
What are the key properties of 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid?
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylcarbamoylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 104833448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).