tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate

C21H27NO4 — CID 42628234

IUPACtert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C21H27NO4/c1-20(2,3)25-18(23)17(22-19(24)26-21(4,5)6)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17H,1-6H3,(H,22,24)/t17-/m1/s1
InChIKeyIJTVIURYPFOLCT-QGZVFWFLSA-N
MW357.45 g/mol
LogP4.75
Rot. Bonds3

About tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate

tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate (PubChem CID 42628234) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
PubChem CID42628234
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Nametert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C21H27NO4/c1-20(2,3)25-18(23)17(22-19(24)26-21(4,5)6)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17H,1-6H3,(H,22,24)/t17-/m1/s1
InChIKeyIJTVIURYPFOLCT-QGZVFWFLSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
ethyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-2-ylmethyl]prop-2-enoate
CID 56929944
tert-butyl N-[(2S)-3-methyl-1-[[(1R)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]carbamate
CID 15300663
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yloxypropanoate
CID 118862766
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid
CID 57376493
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)acetate
CID 46184727
tert-butyl N-[(1S)-2,2-bis(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]carbamate
CID 102082022
tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate
CID 87951534
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylsulfanylpropanoic acid
CID 54317940
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate?
The IUPAC name of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate (CID 42628234) is tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate?
The canonical SMILES for tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate is CC(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate?
The InChIKey is IJTVIURYPFOLCT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO4/c1-20(2,3)25-18(23)17(22-19(24)26-21(4,5)6)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17H,1-6H3,(H,22,24)/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate?
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate has a molecular weight of 357.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate is sourced from PubChem (CID 42628234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).