tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate

C16H18O3 — CID 174374928

IUPACtert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
SMILESCC(C)(C)OC(=O)[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H18O3/c1-16(2,3)19-15(18)14(17)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14,17H,1-3H3/t14-/m1/s1
InChIKeyQMTAFSZJFZWUBH-CQSZACIVSA-N
MW258.32 g/mol
LogP3.21
Rot. Bonds2

About tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate

tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate (PubChem CID 174374928) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
PubChem CID174374928
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nametert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
SMILESCC(C)(C)OC(=O)[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H18O3/c1-16(2,3)19-15(18)14(17)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14,17H,1-3H3/t14-/m1/s1
InChIKeyQMTAFSZJFZWUBH-CQSZACIVSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate 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

(2R)-2-[amino(naphthalen-1-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57350241
(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid
CID 29416205
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
(2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176246
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176242
diethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-1-ylmethyl]propanedioate
CID 11611380
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708
tert-butyl (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-(phenylsulfanylmethyl)propanoate
CID 100941185
tert-butyl (2S,3R)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-(phenylsulfanylmethyl)propanoate
CID 10811438
[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate
CID 66777098
dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 102204031
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate (CID 174374928) is tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate is CC(C)(C)OC(=O)[C@H](O)c1cccc2ccccc12.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate?
The InChIKey is QMTAFSZJFZWUBH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18O3/c1-16(2,3)19-15(18)14(17)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14,17H,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate?
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate has a molecular weight of 258.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate is sourced from PubChem (CID 174374928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).