[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid

C9H10N2O4 — CID 87544855

IUPAC[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C9H10N2O4/c12-8(11-15)7-3-1-6(2-4-7)5-10-9(13)14/h1-4,10,15H,5H2,(H,11,12)(H,13,14)
InChIKeyRWFFENWQTKLVBI-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.57
Rot. Bonds3

About [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid

[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid (PubChem CID 87544855) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
PubChem CID87544855
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C9H10N2O4/c12-8(11-15)7-3-1-6(2-4-7)5-10-9(13)14/h1-4,10,15H,5H2,(H,11,12)(H,13,14)
InChIKeyRWFFENWQTKLVBI-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-(benzamidomethyl)benzoic acid
CID 10879683
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid?
The IUPAC name of [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid (CID 87544855) is [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid is O=C(O)NCc1ccc(C(=O)NO)cc1.
What is the InChIKey of [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid?
The InChIKey is RWFFENWQTKLVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(11-15)7-3-1-6(2-4-7)5-10-9(13)14/h1-4,10,15H,5H2,(H,11,12)(H,13,14).
What are the key properties of [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid?
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid has a molecular weight of 210.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxycarbamoyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 87544855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).