[4-(hydroxymethyl)anilino]carbamic acid

C8H10N2O3 — CID 150482547

IUPAC[4-(hydroxymethyl)anilino]carbamic acid
SMILESO=C(O)NNc1ccc(CO)cc1
InChIInChI=1S/C8H10N2O3/c11-5-6-1-3-7(4-2-6)9-10-8(12)13/h1-4,9-11H,5H2,(H,12,13)
InChIKeyHUDAGNZFGMTBMW-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.77
Rot. Bonds3

About [4-(hydroxymethyl)anilino]carbamic acid

[4-(hydroxymethyl)anilino]carbamic acid (PubChem CID 150482547) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is [4-(hydroxymethyl)anilino]carbamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)anilino]carbamic acid
PubChem CID150482547
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name[4-(hydroxymethyl)anilino]carbamic acid
SMILESO=C(O)NNc1ccc(CO)cc1
InChIInChI=1S/C8H10N2O3/c11-5-6-1-3-7(4-2-6)9-10-8(12)13/h1-4,9-11H,5H2,(H,12,13)
InChIKeyHUDAGNZFGMTBMW-UHFFFAOYSA-N
XLogP0.77
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
4-[4-(hydroxymethyl)anilino]-4-oxobut-2-enoic acid
CID 126969715
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
1-N',2-N'-bis(4-prop-2-enylphenyl)ethanedihydrazide
CID 138619870
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
8-[4-(hydroxymethyl)anilino]-8-oxooctanoic acid
CID 57326777
2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide
CID 166283098
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
[4-(2-oxoethyl)phenyl]carbamic acid
CID 87359539

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)anilino]carbamic acid?
The IUPAC name of [4-(hydroxymethyl)anilino]carbamic acid (CID 150482547) is [4-(hydroxymethyl)anilino]carbamic acid.
What is the SMILES notation for [4-(hydroxymethyl)anilino]carbamic acid?
The canonical SMILES for [4-(hydroxymethyl)anilino]carbamic acid is O=C(O)NNc1ccc(CO)cc1.
What is the InChIKey of [4-(hydroxymethyl)anilino]carbamic acid?
The InChIKey is HUDAGNZFGMTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-5-6-1-3-7(4-2-6)9-10-8(12)13/h1-4,9-11H,5H2,(H,12,13).
What are the key properties of [4-(hydroxymethyl)anilino]carbamic acid?
[4-(hydroxymethyl)anilino]carbamic acid has a molecular weight of 182.18 g/mol, XLogP of 0.77, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)anilino]carbamic acid is sourced from PubChem (CID 150482547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).