azane;2-hydroxy-2-phenylacetic acid

C8H26N6O3 — CID 23617102

IUPACazane;2-hydroxy-2-phenylacetic acid
SMILESN.N.N.N.N.N.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C8H8O3.6H3N/c9-7(8(10)11)6-4-2-1-3-5-6;;;;;;/h1-5,7,9H,(H,10,11);6*1H3
InChIKeyQYLHJASLOPZPTR-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.78
Rot. Bonds2

About azane;2-hydroxy-2-phenylacetic acid

azane;2-hydroxy-2-phenylacetic acid (PubChem CID 23617102) has the molecular formula C8H26N6O3 and a molecular weight of 254.34 g/mol. Its IUPAC name is azane;2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Nameazane;2-hydroxy-2-phenylacetic acid
PubChem CID23617102
Molecular FormulaC8H26N6O3
Molecular Weight254.34 g/mol
Exact Mass254.21
IUPAC Nameazane;2-hydroxy-2-phenylacetic acid
SMILESN.N.N.N.N.N.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C8H8O3.6H3N/c9-7(8(10)11)6-4-2-1-3-5-6;;;;;;/h1-5,7,9H,(H,10,11);6*1H3
InChIKeyQYLHJASLOPZPTR-UHFFFAOYSA-N
XLogP1.78
TPSA267.53 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.34
LogP ≤ 51.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
CID 174709694

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxy-2-phenylacetic acid?
The IUPAC name of azane;2-hydroxy-2-phenylacetic acid (CID 23617102) is azane;2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for azane;2-hydroxy-2-phenylacetic acid?
The canonical SMILES for azane;2-hydroxy-2-phenylacetic acid is N.N.N.N.N.N.O=C(O)C(O)c1ccccc1.
What is the InChIKey of azane;2-hydroxy-2-phenylacetic acid?
The InChIKey is QYLHJASLOPZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.6H3N/c9-7(8(10)11)6-4-2-1-3-5-6;;;;;;/h1-5,7,9H,(H,10,11);6*1H3.
What are the key properties of azane;2-hydroxy-2-phenylacetic acid?
azane;2-hydroxy-2-phenylacetic acid has a molecular weight of 254.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 23617102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).