azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate

C8H13NO4 — CID 70117102

IUPACazane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
SMILESN.O.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.H3N.H2O/c9-7(8(10)11)6-4-2-1-3-5-6;;/h1-5,7,9H,(H,10,11);1H3;1H2/t7-;;/m1../s1
InChIKeyOLQGTXPCYUAXHZ-XCUBXKJBSA-N
MW187.20 g/mol
LogP0.14
Rot. Bonds2

About azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate

azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate (PubChem CID 70117102) has the molecular formula C8H13NO4 and a molecular weight of 187.20 g/mol. Its IUPAC name is azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate.

Molecular Properties

Compound Nameazane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
PubChem CID70117102
Molecular FormulaC8H13NO4
Molecular Weight187.20 g/mol
Exact Mass187.08
IUPAC Nameazane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
SMILESN.O.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.H3N.H2O/c9-7(8(10)11)6-4-2-1-3-5-6;;/h1-5,7,9H,(H,10,11);1H3;1H2/t7-;;/m1../s1
InChIKeyOLQGTXPCYUAXHZ-XCUBXKJBSA-N
XLogP0.14
TPSA124.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
CID 174709694
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056

Frequently Asked Questions

What is the IUPAC name of azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate?
The IUPAC name of azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate (CID 70117102) is azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate.
What is the SMILES notation for azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate?
The canonical SMILES for azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate is N.O.O=C(O)[C@H](O)c1ccccc1.
What is the InChIKey of azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate?
The InChIKey is OLQGTXPCYUAXHZ-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H8O3.H3N.H2O/c9-7(8(10)11)6-4-2-1-3-5-6;;/h1-5,7,9H,(H,10,11);1H3;1H2/t7-;;/m1../s1.
What are the key properties of azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate?
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate has a molecular weight of 187.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate is sourced from PubChem (CID 70117102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).