tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate

C24H31NO5 — CID 23651060

IUPACtert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@]1(C(=O)OC(C)(C)C)CCO[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C24H31NO5/c1-22(2,3)29-20(26)24(25-21(27)30-23(4,5)6)13-14-28-19(24)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15,19H,13-14H2,1-6H3,(H,25,27)/t19-,24+/m1/s1
InChIKeyLJUUHBVSVDDBMU-DVECYGJZSA-N
MW413.51 g/mol
LogP4.91
Rot. Bonds3

About tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate

tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate (PubChem CID 23651060) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate
PubChem CID23651060
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Nametert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@]1(C(=O)OC(C)(C)C)CCO[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C24H31NO5/c1-22(2,3)29-20(26)24(25-21(27)30-23(4,5)6)13-14-28-19(24)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15,19H,13-14H2,1-6H3,(H,25,27)/t19-,24+/m1/s1
InChIKeyLJUUHBVSVDDBMU-DVECYGJZSA-N
XLogP4.91
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate with MolForge

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Related Compounds

tert-butyl (2R,3S)-2-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylate
CID 23651214
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate
CID 23651507
methyl (2S)-2-[[(2S,3R)-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]-3-phenylpropanoate
CID 23651055
methyl (2R)-2-[[(2R,3S)-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]-3-methylbutanoate
CID 42645188
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
2-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 165446641
cis-methyl (1S,2S)-2-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 93047912
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-naphthalen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 169210407
[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium
CID 145300620
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate (CID 23651060) is tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate is CC(C)(C)OC(=O)N[C@@]1(C(=O)OC(C)(C)C)CCO[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate?
The InChIKey is LJUUHBVSVDDBMU-DVECYGJZSA-N. The full InChI is InChI=1S/C24H31NO5/c1-22(2,3)29-20(26)24(25-21(27)30-23(4,5)6)13-14-28-19(24)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15,19H,13-14H2,1-6H3,(H,25,27)/t19-,24+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate?
tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate has a molecular weight of 413.51 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate is sourced from PubChem (CID 23651060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).