[(3S)-oxolan-3-yl] N-tert-butylcarbamate

C9H17NO3 — CID 59990336

IUPAC[(3S)-oxolan-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCOC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-8(11)13-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyOALKSEWNRYXHPS-ZETCQYMHSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds1

About [(3S)-oxolan-3-yl] N-tert-butylcarbamate

[(3S)-oxolan-3-yl] N-tert-butylcarbamate (PubChem CID 59990336) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] N-tert-butylcarbamate
PubChem CID59990336
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(3S)-oxolan-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCOC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-8(11)13-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyOALKSEWNRYXHPS-ZETCQYMHSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 170110864
[(3R,4R,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 170113031
oxolan-3-yl N-tert-butylcarbamate
CID 20765341
oxolan-3-yl N,N-ditert-butylcarbamate
CID 58624052
oxolan-2-ylmethyl N-tert-butylcarbamate
CID 68096976
oxiran-2-ylmethyl N-tert-butylcarbamate
CID 87453894
2-(1,3-dimethoxypropan-2-yloxy)ethyl N-tert-butylcarbamate
CID 90750625
[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate
CID 90809223
2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate
CID 90844150
2-(3-methoxypropoxy)ethyl N-tert-butylcarbamate
CID 91086602
[(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate
CID 91158593
[(2R)-2-methoxypropyl] N-tert-butylcarbamate
CID 91290681

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] N-tert-butylcarbamate?
The IUPAC name of [(3S)-oxolan-3-yl] N-tert-butylcarbamate (CID 59990336) is [(3S)-oxolan-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(3S)-oxolan-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [(3S)-oxolan-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] N-tert-butylcarbamate?
The InChIKey is OALKSEWNRYXHPS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)10-8(11)13-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] N-tert-butylcarbamate?
[(3S)-oxolan-3-yl] N-tert-butylcarbamate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 59990336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).