(2R)-2-azaniumylpropanoate

C3H7NO2 — CID 7311725

IUPAC(2R)-2-azaniumylpropanoate
SMILESC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKeyQNAYBMKLOCPYGJ-UWTATZPHSA-N
MW89.09 g/mol
LogP-2.63
Rot. Bonds1

About (2R)-2-azaniumylpropanoate

(2R)-2-azaniumylpropanoate (PubChem CID 7311725) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is (2R)-2-azaniumylpropanoate.

Molecular Properties

Compound Name(2R)-2-azaniumylpropanoate
PubChem CID7311725
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name(2R)-2-azaniumylpropanoate
SMILESC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKeyQNAYBMKLOCPYGJ-UWTATZPHSA-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 (2R)-2-azaniumylpropanoate?
The IUPAC name of (2R)-2-azaniumylpropanoate (CID 7311725) is (2R)-2-azaniumylpropanoate.
What is the SMILES notation for (2R)-2-azaniumylpropanoate?
The canonical SMILES for (2R)-2-azaniumylpropanoate is C[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumylpropanoate?
The InChIKey is QNAYBMKLOCPYGJ-UWTATZPHSA-N. The full InChI is InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1.
What are the key properties of (2R)-2-azaniumylpropanoate?
(2R)-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 (2R)-2-azaniumylpropanoate is sourced from PubChem (CID 7311725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).