3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid

C10H12N2O4 — CID 117235776

IUPAC3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccccc1O
InChIInChI=1S/C10H12N2O4/c13-8-4-2-1-3-7(8)12-10(16)11-6-5-9(14)15/h1-4,13H,5-6H2,(H,14,15)(H2,11,12,16)
InChIKeyXXDGGNIINUWAIN-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.99
Rot. Bonds4

About 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid

3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid (PubChem CID 117235776) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
PubChem CID117235776
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccccc1O
InChIInChI=1S/C10H12N2O4/c13-8-4-2-1-3-7(8)12-10(16)11-6-5-9(14)15/h1-4,13H,5-6H2,(H,14,15)(H2,11,12,16)
InChIKeyXXDGGNIINUWAIN-UHFFFAOYSA-N
XLogP0.99
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.99
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

2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
CID 108871425
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
3-acetamido-N-(2-hydroxyphenyl)propanamide
CID 47110153
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
12-[[5-(11-carboxyundecylcarbamoylamino)naphthalen-1-yl]carbamoylamino]dodecanoic acid
CID 132504910
3-[(2-methyl-3-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 122088799
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
3-(1,3-benzodioxol-4-ylcarbamoylamino)propanoic acid
CID 122089295

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid (CID 117235776) is 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1ccccc1O.
What is the InChIKey of 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid?
The InChIKey is XXDGGNIINUWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8-4-2-1-3-7(8)12-10(16)11-6-5-9(14)15/h1-4,13H,5-6H2,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid?
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid has a molecular weight of 224.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 117235776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).