amino(hydroxymethyl)carbamic acid

C2H6N2O3 — CID 54036539

IUPACamino(hydroxymethyl)carbamic acid
SMILESNN(CO)C(=O)O
InChIInChI=1S/C2H6N2O3/c3-4(1-5)2(6)7/h5H,1,3H2,(H,6,7)
InChIKeyLJIWMADGOGMTOR-UHFFFAOYSA-N
MW106.08 g/mol
LogP-1.21
Rot. Bonds1

About amino(hydroxymethyl)carbamic acid

amino(hydroxymethyl)carbamic acid (PubChem CID 54036539) has the molecular formula C2H6N2O3 and a molecular weight of 106.08 g/mol. Its IUPAC name is amino(hydroxymethyl)carbamic acid.

Molecular Properties

Compound Nameamino(hydroxymethyl)carbamic acid
PubChem CID54036539
Molecular FormulaC2H6N2O3
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC Nameamino(hydroxymethyl)carbamic acid
SMILESNN(CO)C(=O)O
InChIInChI=1S/C2H6N2O3/c3-4(1-5)2(6)7/h5H,1,3H2,(H,6,7)
InChIKeyLJIWMADGOGMTOR-UHFFFAOYSA-N
XLogP-1.21
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 amino(hydroxymethyl)carbamic acid?
The IUPAC name of amino(hydroxymethyl)carbamic acid (CID 54036539) is amino(hydroxymethyl)carbamic acid.
What is the SMILES notation for amino(hydroxymethyl)carbamic acid?
The canonical SMILES for amino(hydroxymethyl)carbamic acid is NN(CO)C(=O)O.
What is the InChIKey of amino(hydroxymethyl)carbamic acid?
The InChIKey is LJIWMADGOGMTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3/c3-4(1-5)2(6)7/h5H,1,3H2,(H,6,7).
What are the key properties of amino(hydroxymethyl)carbamic acid?
amino(hydroxymethyl)carbamic acid has a molecular weight of 106.08 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(hydroxymethyl)carbamic acid is sourced from PubChem (CID 54036539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).