(2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium

C18H23NO4 — CID 10925171

IUPAC(2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SMILESC[NH2+][C@H](C)[C@@H](O)c1ccccc1.O=C([O-])[C@H](O)c1ccccc1
InChIInChI=1S/C10H15NO.C8H8O3/c1-8(11-2)10(12)9-6-4-3-5-7-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-8,10-12H,1-2H3;1-5,7,9H,(H,10,11)/t8-,10-;7-/m11/s1
InChIKeyPNOAQIICYXINMN-PUDHCILHSA-N
MW317.39 g/mol
LogP-0.23
Rot. Bonds5

About (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium

(2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (PubChem CID 10925171) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
PubChem CID10925171
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SMILESC[NH2+][C@H](C)[C@@H](O)c1ccccc1.O=C([O-])[C@H](O)c1ccccc1
InChIInChI=1S/C10H15NO.C8H8O3/c1-8(11-2)10(12)9-6-4-3-5-7-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-8,10-12H,1-2H3;1-5,7,9H,(H,10,11)/t8-,10-;7-/m11/s1
InChIKeyPNOAQIICYXINMN-PUDHCILHSA-N
XLogP-0.23
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6922967
lithium;bis[(2-hydroxy-2-phenylacetyl)oxy]boranyl 2-hydroxy-2-phenylacetate;2-hydroxy-2-phenylacetate
CID 141072563
azanium 2-phenylpropanoate
CID 146635852
cesium 2-phenylpropanoate
CID 23721405
2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium;2-hydroxy-2-oxoacetate
CID 110185045
(3-cyclohexyl-3-oxopropyl)-(1-hydroxy-1-phenylpropan-2-yl)azanium;2-hydroxypropanoate
CID 110186095
bis(1,4-dioxane);[(1S,2R)-2-hydroxy-1,2-diphenylethyl]azanium;(2S)-2-hydroxy-2-phenylacetate;(2S)-2-hydroxy-2-phenylacetic acid
CID 139092895
bis(bis(2-methoxyethyl)azanium);(E)-but-2-enoate;2-hydroxy-2-phenylacetate
CID 143118982
chloranium 2,2-diphenylacetate
CID 162326731
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
[3-(4-bromophenyl)-3-oxopropyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110175523

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The IUPAC name of (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (CID 10925171) is (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.
What is the SMILES notation for (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The canonical SMILES for (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is C[NH2+][C@H](C)[C@@H](O)c1ccccc1.O=C([O-])[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The InChIKey is PNOAQIICYXINMN-PUDHCILHSA-N. The full InChI is InChI=1S/C10H15NO.C8H8O3/c1-8(11-2)10(12)9-6-4-3-5-7-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-8,10-12H,1-2H3;1-5,7,9H,(H,10,11)/t8-,10-;7-/m11/s1.
What are the key properties of (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
(2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium has a molecular weight of 317.39 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is sourced from PubChem (CID 10925171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).