(2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate

C10H13NO3 — CID 7167573

IUPAC(2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate
SMILES[NH3+][C@@](CO)(Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C10H13NO3/c11-10(7-12,9(13)14)6-8-4-2-1-3-5-8/h1-5,12H,6-7,11H2,(H,13,14)/t10-/m1/s1
InChIKeyZMNNAJIBOJDHAF-SNVBAGLBSA-N
MW195.22 g/mol
LogP-2.05
Rot. Bonds4

About (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate

(2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate (PubChem CID 7167573) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate
PubChem CID7167573
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate
SMILES[NH3+][C@@](CO)(Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C10H13NO3/c11-10(7-12,9(13)14)6-8-4-2-1-3-5-8/h1-5,12H,6-7,11H2,(H,13,14)/t10-/m1/s1
InChIKeyZMNNAJIBOJDHAF-SNVBAGLBSA-N
XLogP-2.05
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate?
The IUPAC name of (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate (CID 7167573) is (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate.
What is the SMILES notation for (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate?
The canonical SMILES for (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate is [NH3+][C@@](CO)(Cc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate?
The InChIKey is ZMNNAJIBOJDHAF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO3/c11-10(7-12,9(13)14)6-8-4-2-1-3-5-8/h1-5,12H,6-7,11H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate?
(2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate has a molecular weight of 195.22 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate is sourced from PubChem (CID 7167573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).