formamidocarbamic acid

C2H4N2O3 — CID 21258333

IUPACformamidocarbamic acid
SMILESO=CNNC(=O)O
InChIInChI=1S/C2H4N2O3/c5-1-3-4-2(6)7/h1,4H,(H,3,5)(H,6,7)
InChIKeyZMRPNWSMUISWEG-UHFFFAOYSA-N
MW104.06 g/mol
LogP-1.09
Rot. Bonds2

About formamidocarbamic acid

formamidocarbamic acid (PubChem CID 21258333) has the molecular formula C2H4N2O3 and a molecular weight of 104.06 g/mol. Its IUPAC name is formamidocarbamic acid.

Molecular Properties

Compound Nameformamidocarbamic acid
PubChem CID21258333
Molecular FormulaC2H4N2O3
Molecular Weight104.06 g/mol
Exact Mass104.02
IUPAC Nameformamidocarbamic acid
SMILESO=CNNC(=O)O
InChIInChI=1S/C2H4N2O3/c5-1-3-4-2(6)7/h1,4H,(H,3,5)(H,6,7)
InChIKeyZMRPNWSMUISWEG-UHFFFAOYSA-N
XLogP-1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 formamidocarbamic acid?
The IUPAC name of formamidocarbamic acid (CID 21258333) is formamidocarbamic acid.
What is the SMILES notation for formamidocarbamic acid?
The canonical SMILES for formamidocarbamic acid is O=CNNC(=O)O.
What is the InChIKey of formamidocarbamic acid?
The InChIKey is ZMRPNWSMUISWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O3/c5-1-3-4-2(6)7/h1,4H,(H,3,5)(H,6,7).
What are the key properties of formamidocarbamic acid?
formamidocarbamic acid has a molecular weight of 104.06 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamidocarbamic acid is sourced from PubChem (CID 21258333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).