1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate

C5H10N2O4 — CID 159014714

IUPAC1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate
SMILESCC(N)=[NH2+].O=C([O-])CC(=O)O
InChIInChI=1S/C3H4O4.C2H6N2/c4-2(5)1-3(6)7;1-2(3)4/h1H2,(H,4,5)(H,6,7);1H3,(H3,3,4)
InChIKeyJSYCMZBXXOJXOA-UHFFFAOYSA-N
MW162.15 g/mol
LogP-3.67
Rot. Bonds2

About 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate

1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate (PubChem CID 159014714) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate.

Molecular Properties

Compound Name1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate
PubChem CID159014714
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate
SMILESCC(N)=[NH2+].O=C([O-])CC(=O)O
InChIInChI=1S/C3H4O4.C2H6N2/c4-2(5)1-3(6)7;1-2(3)4/h1H2,(H,4,5)(H,6,7);1H3,(H3,3,4)
InChIKeyJSYCMZBXXOJXOA-UHFFFAOYSA-N
XLogP-3.67
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-3.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate 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

magnesium;3-hydroxy-3-oxopropanoate;hydroxide
CID 72539803
magnesium;2-aminoacetic acid;diacetate
CID 172709967
disodium;guanidine;diacetate
CID 172858856
calcium;3-oxobutanoic acid;carbonate
CID 175960465
azanium;urea;acetate
CID 87930546
barium(2+);bis(3-oxobutanoate)
CID 87577047
hexakis(3-oxobutanoate);tungsten
CID 173116333
nickel(2+);3-oxobutanoate
CID 22242614
tris(3-oxobutanoate);vanadium
CID 14671412
lithium;sodium;propanedioate;propanoic acid
CID 175224860
3-oxobutanoic acid
CID 96
propanamide;propanedioic acid
CID 174420039

Frequently Asked Questions

What is the IUPAC name of 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate?
The IUPAC name of 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate (CID 159014714) is 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate.
What is the SMILES notation for 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate?
The canonical SMILES for 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate is CC(N)=[NH2+].O=C([O-])CC(=O)O.
What is the InChIKey of 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate?
The InChIKey is JSYCMZBXXOJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.C2H6N2/c4-2(5)1-3(6)7;1-2(3)4/h1H2,(H,4,5)(H,6,7);1H3,(H3,3,4).
What are the key properties of 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate?
1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate has a molecular weight of 162.15 g/mol, XLogP of -3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylideneazanium;3-hydroxy-3-oxopropanoate is sourced from PubChem (CID 159014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).