(2S)-2-azaniumyl-3-(methylamino)propanoate

C4H10N2O2 — CID 126961151

IUPAC(2S)-2-azaniumyl-3-(methylamino)propanoate
SMILESCNC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyUJVHVMNGOZXSOZ-VKHMYHEASA-N
MW118.14 g/mol
LogP-3.43
Rot. Bonds3

About (2S)-2-azaniumyl-3-(methylamino)propanoate

(2S)-2-azaniumyl-3-(methylamino)propanoate (PubChem CID 126961151) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (2S)-2-azaniumyl-3-(methylamino)propanoate.

Molecular Properties

Compound Name(2S)-2-azaniumyl-3-(methylamino)propanoate
PubChem CID126961151
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name(2S)-2-azaniumyl-3-(methylamino)propanoate
SMILESCNC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyUJVHVMNGOZXSOZ-VKHMYHEASA-N
XLogP-3.43
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-3.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-azaniumyl-3-(methylamino)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 (2S)-2-azaniumyl-3-(methylamino)propanoate?
The IUPAC name of (2S)-2-azaniumyl-3-(methylamino)propanoate (CID 126961151) is (2S)-2-azaniumyl-3-(methylamino)propanoate.
What is the SMILES notation for (2S)-2-azaniumyl-3-(methylamino)propanoate?
The canonical SMILES for (2S)-2-azaniumyl-3-(methylamino)propanoate is CNC[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumyl-3-(methylamino)propanoate?
The InChIKey is UJVHVMNGOZXSOZ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-2-azaniumyl-3-(methylamino)propanoate?
(2S)-2-azaniumyl-3-(methylamino)propanoate has a molecular weight of 118.14 g/mol, XLogP of -3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumyl-3-(methylamino)propanoate is sourced from PubChem (CID 126961151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).