2-[(2-hydroxyphenyl)carbamoylamino]acetic acid

C9H10N2O4 — CID 19894710

IUPAC2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccccc1O
InChIInChI=1S/C9H10N2O4/c12-7-4-2-1-3-6(7)11-9(15)10-5-8(13)14/h1-4,12H,5H2,(H,13,14)(H2,10,11,15)
InChIKeyIJQDYSWZHPEMRD-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.60
Rot. Bonds3

About 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid

2-[(2-hydroxyphenyl)carbamoylamino]acetic acid (PubChem CID 19894710) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
PubChem CID19894710
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccccc1O
InChIInChI=1S/C9H10N2O4/c12-7-4-2-1-3-6(7)11-9(15)10-5-8(13)14/h1-4,12H,5H2,(H,13,14)(H2,10,11,15)
InChIKeyIJQDYSWZHPEMRD-UHFFFAOYSA-N
XLogP0.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.60
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-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
2-[(2-acetylphenyl)carbamoylamino]acetic acid
CID 39733019
1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
CID 108871425
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
3-(2-hydroxyanilino)-3-oxopropanoic acid
CID 69016240
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
(3S)-3-amino-4-(2-hydroxyanilino)-4-oxobutanoic acid
CID 70293663
2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid (CID 19894710) is 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid?
The InChIKey is IJQDYSWZHPEMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-7-4-2-1-3-6(7)11-9(15)10-5-8(13)14/h1-4,12H,5H2,(H,13,14)(H2,10,11,15).
What are the key properties of 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid?
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 19894710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).