2-(2-azaniumylpropanoylamino)propanoate

C6H12N2O3 — CID 5242513

IUPAC2-(2-azaniumylpropanoylamino)propanoate
SMILESCC([NH3+])C(=O)NC(C)C(=O)[O-]
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyDEFJQIDDEAULHB-UHFFFAOYSA-N
MW160.17 g/mol
LogP-3.13
Rot. Bonds3

About 2-(2-azaniumylpropanoylamino)propanoate

2-(2-azaniumylpropanoylamino)propanoate (PubChem CID 5242513) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(2-azaniumylpropanoylamino)propanoate.

Molecular Properties

Compound Name2-(2-azaniumylpropanoylamino)propanoate
PubChem CID5242513
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(2-azaniumylpropanoylamino)propanoate
SMILESCC([NH3+])C(=O)NC(C)C(=O)[O-]
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyDEFJQIDDEAULHB-UHFFFAOYSA-N
XLogP-3.13
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-3.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-azaniumylpropanoylamino)propanoate 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 2-(2-azaniumylpropanoylamino)propanoate?
The IUPAC name of 2-(2-azaniumylpropanoylamino)propanoate (CID 5242513) is 2-(2-azaniumylpropanoylamino)propanoate.
What is the SMILES notation for 2-(2-azaniumylpropanoylamino)propanoate?
The canonical SMILES for 2-(2-azaniumylpropanoylamino)propanoate is CC([NH3+])C(=O)NC(C)C(=O)[O-].
What is the InChIKey of 2-(2-azaniumylpropanoylamino)propanoate?
The InChIKey is DEFJQIDDEAULHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-(2-azaniumylpropanoylamino)propanoate?
2-(2-azaniumylpropanoylamino)propanoate has a molecular weight of 160.17 g/mol, XLogP of -3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaniumylpropanoylamino)propanoate is sourced from PubChem (CID 5242513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).