2-azaniumylpropanoate

C3H7NO2 — CID 57383916

💊View drug profile → DL-Alanine
IUPAC2-azaniumylpropanoate
SMILESCC([NH3+])C(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKeyQNAYBMKLOCPYGJ-UHFFFAOYSA-N
MW89.09 g/mol
LogP-2.63
Rot. Bonds1

About 2-azaniumylpropanoate

2-azaniumylpropanoate (PubChem CID 57383916) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 2-azaniumylpropanoate.

Molecular Properties

Compound Name2-azaniumylpropanoate
PubChem CID57383916
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name2-azaniumylpropanoate
SMILESCC([NH3+])C(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKeyQNAYBMKLOCPYGJ-UHFFFAOYSA-N
XLogP-2.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumylpropanoate?
The IUPAC name of 2-azaniumylpropanoate (CID 57383916) is 2-azaniumylpropanoate.
What is the SMILES notation for 2-azaniumylpropanoate?
The canonical SMILES for 2-azaniumylpropanoate is CC([NH3+])C(=O)[O-].
What is the InChIKey of 2-azaniumylpropanoate?
The InChIKey is QNAYBMKLOCPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6).
What are the key properties of 2-azaniumylpropanoate?
2-azaniumylpropanoate has a molecular weight of 89.09 g/mol, XLogP of -2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylpropanoate is sourced from PubChem (CID 57383916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).