tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate

C19H35NO5 — CID 22874089

IUPACtert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
SMILESCC(C)[C@@H](CO)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H](C(C)C)C(=O)O1
InChIInChI=1S/C19H35NO5/c1-11(2)13(10-21)8-15(20-18(23)25-19(5,6)7)16-9-14(12(3)4)17(22)24-16/h11-16,21H,8-10H2,1-7H3,(H,20,23)/t13-,14+,15+,16+/m1/s1
InChIKeyGSHJWDDXSDJAPH-UGUYLWEFSA-N
MW357.49 g/mol
LogP3.12
Rot. Bonds7

About tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate

tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate (PubChem CID 22874089) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
PubChem CID22874089
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Nametert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
SMILESCC(C)[C@@H](CO)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H](C(C)C)C(=O)O1
InChIInChI=1S/C19H35NO5/c1-11(2)13(10-21)8-15(20-18(23)25-19(5,6)7)16-9-14(12(3)4)17(22)24-16/h11-16,21H,8-10H2,1-7H3,(H,20,23)/t13-,14+,15+,16+/m1/s1
InChIKeyGSHJWDDXSDJAPH-UGUYLWEFSA-N
XLogP3.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,3S)-3-(bromomethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate;tert-butyl N-[(1S,3S)-3-ethyl-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate;tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
CID 160610468
tert-butyl N-[(1S)-3-methyl-1-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate;tert-butyl N-[(1S)-3-methyl-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 158711010
tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
CID 11649505
tert-butyl N-[(1S,3R)-3-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
CID 67090189
tert-butyl N-[(1S,3R)-5-[4-fluoro-2-(3-methoxypropoxy)anilino]-5-oxo-1-[(2R,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpentyl]carbamate
CID 53340873
tert-butyl N-[(1S,3R)-5-[[5-(3-methoxypropoxy)-2,3-dihydro-1H-inden-4-yl]amino]-5-oxo-1-[(2R,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpentyl]carbamate
CID 53340747
tert-butyl N-[(1S,3S)-4-(1H-indol-6-yl)-7-methoxy-1-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylheptyl]carbamate
CID 69176475
[(2S,4S)-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-2-propan-2-ylbutyl] methyl carbonate
CID 165366075
(3S,5S)-5-[(1S,3S)-1-azido-3-(hydroxymethyl)-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 22874084
tert-butyl N-[(1S)-2-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]propyl]carbamate
CID 12042857
tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate
CID 145469318
(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 66645583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate (CID 22874089) is tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate is CC(C)[C@@H](CO)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H](C(C)C)C(=O)O1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate?
The InChIKey is GSHJWDDXSDJAPH-UGUYLWEFSA-N. The full InChI is InChI=1S/C19H35NO5/c1-11(2)13(10-21)8-15(20-18(23)25-19(5,6)7)16-9-14(12(3)4)17(22)24-16/h11-16,21H,8-10H2,1-7H3,(H,20,23)/t13-,14+,15+,16+/m1/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate?
tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate has a molecular weight of 357.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-(hydroxymethyl)-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate is sourced from PubChem (CID 22874089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).