(2-amino-2-iminoethyl)carbamic acid

C3H7N3O2 — CID 87487959

IUPAC(2-amino-2-iminoethyl)carbamic acid
SMILES[H]/N=C(\N)CNC(=O)O
InChIInChI=1S/C3H7N3O2/c4-2(5)1-6-3(7)8/h6H,1H2,(H3,4,5)(H,7,8)
InChIKeyYYZSNTIDZZUDQO-UHFFFAOYSA-N
MW117.11 g/mol
LogP-0.81
Rot. Bonds2

About (2-amino-2-iminoethyl)carbamic acid

(2-amino-2-iminoethyl)carbamic acid (PubChem CID 87487959) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is (2-amino-2-iminoethyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-2-iminoethyl)carbamic acid
PubChem CID87487959
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Name(2-amino-2-iminoethyl)carbamic acid
SMILES[H]/N=C(\N)CNC(=O)O
InChIInChI=1S/C3H7N3O2/c4-2(5)1-6-3(7)8/h6H,1H2,(H3,4,5)(H,7,8)
InChIKeyYYZSNTIDZZUDQO-UHFFFAOYSA-N
XLogP-0.81
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2-amino-2-iminoethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-iminoethyl)carbamic acid?
The IUPAC name of (2-amino-2-iminoethyl)carbamic acid (CID 87487959) is (2-amino-2-iminoethyl)carbamic acid.
What is the SMILES notation for (2-amino-2-iminoethyl)carbamic acid?
The canonical SMILES for (2-amino-2-iminoethyl)carbamic acid is [H]/N=C(\N)CNC(=O)O.
What is the InChIKey of (2-amino-2-iminoethyl)carbamic acid?
The InChIKey is YYZSNTIDZZUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c4-2(5)1-6-3(7)8/h6H,1H2,(H3,4,5)(H,7,8).
What are the key properties of (2-amino-2-iminoethyl)carbamic acid?
(2-amino-2-iminoethyl)carbamic acid has a molecular weight of 117.11 g/mol, XLogP of -0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-iminoethyl)carbamic acid is sourced from PubChem (CID 87487959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).