[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate

C20H19NO3 — CID 66777098

IUPAC[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESC[C@@](N)(OC(=O)[C@H](O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3/c1-20(21,17-13-7-11-14-8-5-6-12-16(14)17)24-19(23)18(22)15-9-3-2-4-10-15/h2-13,18,22H,21H2,1H3/t18-,20-/m1/s1
InChIKeySINVZNPGJPQSGX-UYAOXDASSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds4

About [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate

[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate (PubChem CID 66777098) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate
PubChem CID66777098
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESC[C@@](N)(OC(=O)[C@H](O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3/c1-20(21,17-13-7-11-14-8-5-6-12-16(14)17)24-19(23)18(22)15-9-3-2-4-10-15/h2-13,18,22H,21H2,1H3/t18-,20-/m1/s1
InChIKeySINVZNPGJPQSGX-UYAOXDASSA-N
XLogP3.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
CID 175069063
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
tert-butyl (2S,3R)-2-hydroxy-2-naphthalen-1-yl-3-phenylpent-4-ynoate
CID 101476199
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate
CID 101032832
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
ethyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849159
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate (CID 66777098) is [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate is C[C@@](N)(OC(=O)[C@H](O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is SINVZNPGJPQSGX-UYAOXDASSA-N. The full InChI is InChI=1S/C20H19NO3/c1-20(21,17-13-7-11-14-8-5-6-12-16(14)17)24-19(23)18(22)15-9-3-2-4-10-15/h2-13,18,22H,21H2,1H3/t18-,20-/m1/s1.
What are the key properties of [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate?
[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 321.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 66777098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).