carboxy(formamidomethyl)carbamic acid

C4H6N2O5 — CID 175462890

IUPACcarboxy(formamidomethyl)carbamic acid
SMILESO=CNCN(C(=O)O)C(=O)O
InChIInChI=1S/C4H6N2O5/c7-2-5-1-6(3(8)9)4(10)11/h2H,1H2,(H,5,7)(H,8,9)(H,10,11)
InChIKeyJPJSSDJPRJTCNT-UHFFFAOYSA-N
MW162.10 g/mol
LogP-0.65
Rot. Bonds3

About carboxy(formamidomethyl)carbamic acid

carboxy(formamidomethyl)carbamic acid (PubChem CID 175462890) has the molecular formula C4H6N2O5 and a molecular weight of 162.10 g/mol. Its IUPAC name is carboxy(formamidomethyl)carbamic acid.

Molecular Properties

Compound Namecarboxy(formamidomethyl)carbamic acid
PubChem CID175462890
Molecular FormulaC4H6N2O5
Molecular Weight162.10 g/mol
Exact Mass162.03
IUPAC Namecarboxy(formamidomethyl)carbamic acid
SMILESO=CNCN(C(=O)O)C(=O)O
InChIInChI=1S/C4H6N2O5/c7-2-5-1-6(3(8)9)4(10)11/h2H,1H2,(H,5,7)(H,8,9)(H,10,11)
InChIKeyJPJSSDJPRJTCNT-UHFFFAOYSA-N
XLogP-0.65
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 carboxy(formamidomethyl)carbamic acid?
The IUPAC name of carboxy(formamidomethyl)carbamic acid (CID 175462890) is carboxy(formamidomethyl)carbamic acid.
What is the SMILES notation for carboxy(formamidomethyl)carbamic acid?
The canonical SMILES for carboxy(formamidomethyl)carbamic acid is O=CNCN(C(=O)O)C(=O)O.
What is the InChIKey of carboxy(formamidomethyl)carbamic acid?
The InChIKey is JPJSSDJPRJTCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O5/c7-2-5-1-6(3(8)9)4(10)11/h2H,1H2,(H,5,7)(H,8,9)(H,10,11).
What are the key properties of carboxy(formamidomethyl)carbamic acid?
carboxy(formamidomethyl)carbamic acid has a molecular weight of 162.10 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy(formamidomethyl)carbamic acid is sourced from PubChem (CID 175462890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).