(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate

C8H9NO3 — CID 25200582

IUPAC(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate
SMILES[NH3+][C@@H](C(=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1
InChIKeyLJCWONGJFPCTTL-SSDOTTSWSA-N
MW167.16 g/mol
LogP-1.57
Rot. Bonds2

About (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate

(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate (PubChem CID 25200582) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate
PubChem CID25200582
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate
SMILES[NH3+][C@@H](C(=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1
InChIKeyLJCWONGJFPCTTL-SSDOTTSWSA-N
XLogP-1.57
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-1.57
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-(4-hydroxyphenyl)acetate?
The IUPAC name of (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate (CID 25200582) is (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate is [NH3+][C@@H](C(=O)[O-])c1ccc(O)cc1.
What is the InChIKey of (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate?
The InChIKey is LJCWONGJFPCTTL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate?
(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate has a molecular weight of 167.16 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 25200582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).