3-amino-3-imino-2-methoxypropanoic acid

C4H8N2O3 — CID 87737958

IUPAC3-amino-3-imino-2-methoxypropanoic acid
SMILES[H]/N=C(\N)C(OC)C(=O)O
InChIInChI=1S/C4H8N2O3/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H3,5,6)(H,7,8)
InChIKeyABWJBBHTLUQAOE-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.98
Rot. Bonds3

About 3-amino-3-imino-2-methoxypropanoic acid

3-amino-3-imino-2-methoxypropanoic acid (PubChem CID 87737958) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 3-amino-3-imino-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-amino-3-imino-2-methoxypropanoic acid
PubChem CID87737958
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name3-amino-3-imino-2-methoxypropanoic acid
SMILES[H]/N=C(\N)C(OC)C(=O)O
InChIInChI=1S/C4H8N2O3/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H3,5,6)(H,7,8)
InChIKeyABWJBBHTLUQAOE-UHFFFAOYSA-N
XLogP-0.98
TPSA96.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-3-imino-2-methoxypropanoic 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

3-amino-2-methoxy-3-oxopropanoic acid
CID 19373134
4-chloro-4-imino-2-methoxy-3-oxobutanoic acid
CID 88644004
4-imino-2-methoxy-3-oxobutanoic acid
CID 57243564
(2R)-2-methoxypropanimidamide
CID 11768515
2,3,4-triamino-4-iminobutanoic acid
CID 89049146
2-methylpropanimidamide;hydrochloride
CID 2782053
3-amino-2-[[(3-amino-2-carboxy-3-iminopropyl)diazenyl]methyl]-3-iminopropanoic acid;hydrochloride
CID 87498740
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
2-amino-2-methoxyacetic acid
CID 23501104
[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
CID 118525619
4-carbamimidoyl-5-methylhexanoic acid
CID 141366618
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
CID 174596017

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-imino-2-methoxypropanoic acid?
The IUPAC name of 3-amino-3-imino-2-methoxypropanoic acid (CID 87737958) is 3-amino-3-imino-2-methoxypropanoic acid.
What is the SMILES notation for 3-amino-3-imino-2-methoxypropanoic acid?
The canonical SMILES for 3-amino-3-imino-2-methoxypropanoic acid is [H]/N=C(\N)C(OC)C(=O)O.
What is the InChIKey of 3-amino-3-imino-2-methoxypropanoic acid?
The InChIKey is ABWJBBHTLUQAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H3,5,6)(H,7,8).
What are the key properties of 3-amino-3-imino-2-methoxypropanoic acid?
3-amino-3-imino-2-methoxypropanoic acid has a molecular weight of 132.12 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-imino-2-methoxypropanoic acid is sourced from PubChem (CID 87737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).