2-(aminomethylamino)-2-oxoacetic acid

C3H6N2O3 — CID 117126334

IUPAC2-(aminomethylamino)-2-oxoacetic acid
SMILESNCNC(=O)C(=O)O
InChIInChI=1S/C3H6N2O3/c4-1-5-2(6)3(7)8/h1,4H2,(H,5,6)(H,7,8)
InChIKeyWLOKSCSADHSBKX-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.90
Rot. Bonds1

About 2-(aminomethylamino)-2-oxoacetic acid

2-(aminomethylamino)-2-oxoacetic acid (PubChem CID 117126334) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is 2-(aminomethylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(aminomethylamino)-2-oxoacetic acid
PubChem CID117126334
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name2-(aminomethylamino)-2-oxoacetic acid
SMILESNCNC(=O)C(=O)O
InChIInChI=1S/C3H6N2O3/c4-1-5-2(6)3(7)8/h1,4H2,(H,5,6)(H,7,8)
InChIKeyWLOKSCSADHSBKX-UHFFFAOYSA-N
XLogP-1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethylamino)-2-oxoacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

aminomethylcarbamic acid
CID 90118648
aminomethylcarbamic acid;hydrochloride
CID 90118647
2-oxo-2-(1,1,2,2,2-pentadeuterioethylamino)acetic acid
CID 131708836
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
2-(methylaminomethylamino)-2-oxoacetic acid
CID 117126335
2-(ethylamino)-2-oxoacetic acid;hydrochloride
CID 87148402
2-(carboxymethylamino)-2-oxoacetic acid;ethene
CID 142170274
3-(oxaloamino)propanoic acid;hydrochloride
CID 89155811
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
CID 104767621
2-[(oxaloamino)oxyamino]-2-oxoacetic acid
CID 156693654
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
CID 118029945

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylamino)-2-oxoacetic acid?
The IUPAC name of 2-(aminomethylamino)-2-oxoacetic acid (CID 117126334) is 2-(aminomethylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(aminomethylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(aminomethylamino)-2-oxoacetic acid is NCNC(=O)C(=O)O.
What is the InChIKey of 2-(aminomethylamino)-2-oxoacetic acid?
The InChIKey is WLOKSCSADHSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c4-1-5-2(6)3(7)8/h1,4H2,(H,5,6)(H,7,8).
What are the key properties of 2-(aminomethylamino)-2-oxoacetic acid?
2-(aminomethylamino)-2-oxoacetic acid has a molecular weight of 118.09 g/mol, XLogP of -1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylamino)-2-oxoacetic acid is sourced from PubChem (CID 117126334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).