3-[methyl-[(Z)-propylideneamino]amino]propanoic acid

C7H14N2O2 — CID 172951035

IUPAC3-[methyl-[(Z)-propylideneamino]amino]propanoic acid
SMILESCC/C=N\N(C)CCC(=O)O
InChIInChI=1S/C7H14N2O2/c1-3-5-8-9(2)6-4-7(10)11/h5H,3-4,6H2,1-2H3,(H,10,11)/b8-5-
InChIKeyQTDYNZCJGMYDAM-YVMONPNESA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds5

About 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid

3-[methyl-[(Z)-propylideneamino]amino]propanoic acid (PubChem CID 172951035) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(Z)-propylideneamino]amino]propanoic acid
PubChem CID172951035
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[methyl-[(Z)-propylideneamino]amino]propanoic acid
SMILESCC/C=N\N(C)CCC(=O)O
InChIInChI=1S/C7H14N2O2/c1-3-5-8-9(2)6-4-7(10)11/h5H,3-4,6H2,1-2H3,(H,10,11)/b8-5-
InChIKeyQTDYNZCJGMYDAM-YVMONPNESA-N
XLogP0.79
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[methyl-[(Z)-propylideneamino]amino]propanoic 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 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid (CID 172951035) is 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid is CC/C=N\N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid?
The InChIKey is QTDYNZCJGMYDAM-YVMONPNESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-5-8-9(2)6-4-7(10)11/h5H,3-4,6H2,1-2H3,(H,10,11)/b8-5-.
What are the key properties of 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid?
3-[methyl-[(Z)-propylideneamino]amino]propanoic acid has a molecular weight of 158.20 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(Z)-propylideneamino]amino]propanoic acid is sourced from PubChem (CID 172951035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).