aminomethylcarbamic acid

C2H6N2O2 — CID 90118648

IUPACaminomethylcarbamic acid
SMILESNCNC(=O)O
InChIInChI=1S/C2H6N2O2/c3-1-4-2(5)6/h4H,1,3H2,(H,5,6)
InChIKeyHHFJXGNFTBSDLF-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.83
Rot. Bonds1

About aminomethylcarbamic acid

aminomethylcarbamic acid (PubChem CID 90118648) has the molecular formula C2H6N2O2 and a molecular weight of 90.08 g/mol. Its IUPAC name is aminomethylcarbamic acid.

Molecular Properties

Compound Nameaminomethylcarbamic acid
PubChem CID90118648
Molecular FormulaC2H6N2O2
Molecular Weight90.08 g/mol
Exact Mass90.04
IUPAC Nameaminomethylcarbamic acid
SMILESNCNC(=O)O
InChIInChI=1S/C2H6N2O2/c3-1-4-2(5)6/h4H,1,3H2,(H,5,6)
InChIKeyHHFJXGNFTBSDLF-UHFFFAOYSA-N
XLogP-0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminomethylcarbamic acid?
The IUPAC name of aminomethylcarbamic acid (CID 90118648) is aminomethylcarbamic acid.
What is the SMILES notation for aminomethylcarbamic acid?
The canonical SMILES for aminomethylcarbamic acid is NCNC(=O)O.
What is the InChIKey of aminomethylcarbamic acid?
The InChIKey is HHFJXGNFTBSDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2/c3-1-4-2(5)6/h4H,1,3H2,(H,5,6).
What are the key properties of aminomethylcarbamic acid?
aminomethylcarbamic acid has a molecular weight of 90.08 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylcarbamic acid is sourced from PubChem (CID 90118648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).