formamidomethylcarbamic acid

C3H6N2O3 — CID 59274464

IUPACformamidomethylcarbamic acid
SMILESO=CNCNC(=O)O
InChIInChI=1S/C3H6N2O3/c6-2-4-1-5-3(7)8/h2,5H,1H2,(H,4,6)(H,7,8)
InChIKeyLKBDMJRXMREPAN-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.04
Rot. Bonds3

About formamidomethylcarbamic acid

formamidomethylcarbamic acid (PubChem CID 59274464) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is formamidomethylcarbamic acid.

Molecular Properties

Compound Nameformamidomethylcarbamic acid
PubChem CID59274464
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Nameformamidomethylcarbamic acid
SMILESO=CNCNC(=O)O
InChIInChI=1S/C3H6N2O3/c6-2-4-1-5-3(7)8/h2,5H,1H2,(H,4,6)(H,7,8)
InChIKeyLKBDMJRXMREPAN-UHFFFAOYSA-N
XLogP-1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamidomethylcarbamic acid?
The IUPAC name of formamidomethylcarbamic acid (CID 59274464) is formamidomethylcarbamic acid.
What is the SMILES notation for formamidomethylcarbamic acid?
The canonical SMILES for formamidomethylcarbamic acid is O=CNCNC(=O)O.
What is the InChIKey of formamidomethylcarbamic acid?
The InChIKey is LKBDMJRXMREPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c6-2-4-1-5-3(7)8/h2,5H,1H2,(H,4,6)(H,7,8).
What are the key properties of formamidomethylcarbamic acid?
formamidomethylcarbamic acid has a molecular weight of 118.09 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamidomethylcarbamic acid is sourced from PubChem (CID 59274464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).