hydroxy(methylcarbamoyl)carbamic acid

C3H6N2O4 — CID 55286396

IUPAChydroxy(methylcarbamoyl)carbamic acid
SMILESCNC(=O)N(O)C(=O)O
InChIInChI=1S/C3H6N2O4/c1-4-2(6)5(9)3(7)8/h9H,1H3,(H,4,6)(H,7,8)
InChIKeyJYJKPWSLFOBPPG-UHFFFAOYSA-N
MW134.09 g/mol
LogP-0.31
Rot. Bonds

About hydroxy(methylcarbamoyl)carbamic acid

hydroxy(methylcarbamoyl)carbamic acid (PubChem CID 55286396) has the molecular formula C3H6N2O4 and a molecular weight of 134.09 g/mol. Its IUPAC name is hydroxy(methylcarbamoyl)carbamic acid.

Molecular Properties

Compound Namehydroxy(methylcarbamoyl)carbamic acid
PubChem CID55286396
Molecular FormulaC3H6N2O4
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Namehydroxy(methylcarbamoyl)carbamic acid
SMILESCNC(=O)N(O)C(=O)O
InChIInChI=1S/C3H6N2O4/c1-4-2(6)5(9)3(7)8/h9H,1H3,(H,4,6)(H,7,8)
InChIKeyJYJKPWSLFOBPPG-UHFFFAOYSA-N
XLogP-0.31
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of hydroxy(methylcarbamoyl)carbamic acid?
The IUPAC name of hydroxy(methylcarbamoyl)carbamic acid (CID 55286396) is hydroxy(methylcarbamoyl)carbamic acid.
What is the SMILES notation for hydroxy(methylcarbamoyl)carbamic acid?
The canonical SMILES for hydroxy(methylcarbamoyl)carbamic acid is CNC(=O)N(O)C(=O)O.
What is the InChIKey of hydroxy(methylcarbamoyl)carbamic acid?
The InChIKey is JYJKPWSLFOBPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O4/c1-4-2(6)5(9)3(7)8/h9H,1H3,(H,4,6)(H,7,8).
What are the key properties of hydroxy(methylcarbamoyl)carbamic acid?
hydroxy(methylcarbamoyl)carbamic acid has a molecular weight of 134.09 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(methylcarbamoyl)carbamic acid is sourced from PubChem (CID 55286396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).