2-[[(2S)-2-azaniumylpropanoyl]amino]acetate

C5H10N2O3 — CID 6998028

IUPAC2-[[(2S)-2-azaniumylpropanoyl]amino]acetate
SMILESC[C@H]([NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m0/s1
InChIKeyCXISPYVYMQWFLE-VKHMYHEASA-N
MW146.15 g/mol
LogP-3.52
Rot. Bonds3

About 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate

2-[[(2S)-2-azaniumylpropanoyl]amino]acetate (PubChem CID 6998028) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2S)-2-azaniumylpropanoyl]amino]acetate
PubChem CID6998028
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-[[(2S)-2-azaniumylpropanoyl]amino]acetate
SMILESC[C@H]([NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m0/s1
InChIKeyCXISPYVYMQWFLE-VKHMYHEASA-N
XLogP-3.52
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-3.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate 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

N-Acetyl-L-alanine
CID 88064
L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
[(Ammonioacetyl)amino]acetate
CID 1548897
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
L-cysteinylglycine zwitterion
CID 7098621
Ala-Gly
CID 6998029
Propionylglycine
CID 98681
Glycyl-L-valine
CID 2724807
Ala-Ala-Ala
CID 5478845
AV zwitterion
CID 6992383
N-Glycylalanine
CID 98153

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate?
The IUPAC name of 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate (CID 6998028) is 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate.
What is the SMILES notation for 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate?
The canonical SMILES for 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate is C[C@H]([NH3+])C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate?
The InChIKey is CXISPYVYMQWFLE-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m0/s1.
What are the key properties of 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate?
2-[[(2S)-2-azaniumylpropanoyl]amino]acetate has a molecular weight of 146.15 g/mol, XLogP of -3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-azaniumylpropanoyl]amino]acetate is sourced from PubChem (CID 6998028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).