3-(1-aminoethylideneamino)propanoic acid

C5H10N2O2 — CID 23196095

IUPAC3-(1-aminoethylideneamino)propanoic acid
SMILESC/C(N)=N\CCC(=O)O
InChIInChI=1S/C5H10N2O2/c1-4(6)7-3-2-5(8)9/h2-3H2,1H3,(H2,6,7)(H,8,9)
InChIKeyRAXWPWWVEUZQLS-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.16
Rot. Bonds3

About 3-(1-aminoethylideneamino)propanoic acid

3-(1-aminoethylideneamino)propanoic acid (PubChem CID 23196095) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-(1-aminoethylideneamino)propanoic acid.

Molecular Properties

Compound Name3-(1-aminoethylideneamino)propanoic acid
PubChem CID23196095
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-(1-aminoethylideneamino)propanoic acid
SMILESC/C(N)=N\CCC(=O)O
InChIInChI=1S/C5H10N2O2/c1-4(6)7-3-2-5(8)9/h2-3H2,1H3,(H2,6,7)(H,8,9)
InChIKeyRAXWPWWVEUZQLS-UHFFFAOYSA-N
XLogP-0.16
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethylideneamino)propanoic acid?
The IUPAC name of 3-(1-aminoethylideneamino)propanoic acid (CID 23196095) is 3-(1-aminoethylideneamino)propanoic acid.
What is the SMILES notation for 3-(1-aminoethylideneamino)propanoic acid?
The canonical SMILES for 3-(1-aminoethylideneamino)propanoic acid is C/C(N)=N\CCC(=O)O.
What is the InChIKey of 3-(1-aminoethylideneamino)propanoic acid?
The InChIKey is RAXWPWWVEUZQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-4(6)7-3-2-5(8)9/h2-3H2,1H3,(H2,6,7)(H,8,9).
What are the key properties of 3-(1-aminoethylideneamino)propanoic acid?
3-(1-aminoethylideneamino)propanoic acid has a molecular weight of 130.15 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethylideneamino)propanoic acid is sourced from PubChem (CID 23196095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).