tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate

C17H25NO5 — CID 10336313

IUPACtert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate
SMILESCOc1ccc([C@H]2OC(O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1
InChIInChI=1S/C17H25NO5/c1-10-13(18-16(20)23-17(2,3)4)15(19)22-14(10)11-6-8-12(21-5)9-7-11/h6-10,13-15,19H,1-5H3,(H,18,20)/t10-,13-,14-,15?/m0/s1
InChIKeyAAMLKXLTAFOJPL-WDZCSTINSA-N
MW323.39 g/mol
LogP2.61
Rot. Bonds3

About tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate

tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate (PubChem CID 10336313) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate
PubChem CID10336313
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nametert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate
SMILESCOc1ccc([C@H]2OC(O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1
InChIInChI=1S/C17H25NO5/c1-10-13(18-16(20)23-17(2,3)4)15(19)22-14(10)11-6-8-12(21-5)9-7-11/h6-10,13-15,19H,1-5H3,(H,18,20)/t10-,13-,14-,15?/m0/s1
InChIKeyAAMLKXLTAFOJPL-WDZCSTINSA-N
XLogP2.61
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 15315317
tert-butyl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 135529667
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 135251327
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
tert-butyl N-[(1R,2S,3S,4S)-3-hydroxy-2-(4-methoxyphenyl)-1-oxothian-4-yl]carbamate
CID 11142803
tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
CID 134361248
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate (CID 10336313) is tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate is COc1ccc([C@H]2OC(O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1.
What is the InChIKey of tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate?
The InChIKey is AAMLKXLTAFOJPL-WDZCSTINSA-N. The full InChI is InChI=1S/C17H25NO5/c1-10-13(18-16(20)23-17(2,3)4)15(19)22-14(10)11-6-8-12(21-5)9-7-11/h6-10,13-15,19H,1-5H3,(H,18,20)/t10-,13-,14-,15?/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate?
tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate has a molecular weight of 323.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate is sourced from PubChem (CID 10336313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).