(2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate

C6H11NO4 — CID 46173481

IUPAC(2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate
SMILESC[C@@H]([NH3+])C(=O)O[C@H](C)C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4-/m1/s1
InChIKeyQLYOONKPELZQGZ-QWWZWVQMSA-N
MW161.16 g/mol
LogP-2.70
Rot. Bonds3

About (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate

(2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate (PubChem CID 46173481) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate
PubChem CID46173481
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate
SMILESC[C@@H]([NH3+])C(=O)O[C@H](C)C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4-/m1/s1
InChIKeyQLYOONKPELZQGZ-QWWZWVQMSA-N
XLogP-2.70
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate 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 (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate?
The IUPAC name of (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate (CID 46173481) is (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate.
What is the SMILES notation for (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate?
The canonical SMILES for (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate is C[C@@H]([NH3+])C(=O)O[C@H](C)C(=O)[O-].
What is the InChIKey of (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate?
The InChIKey is QLYOONKPELZQGZ-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate?
(2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate has a molecular weight of 161.16 g/mol, XLogP of -2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-azaniumylpropanoyl]oxypropanoate is sourced from PubChem (CID 46173481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).