[(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate

C9H17NO3 — CID 91158593

IUPAC[(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate
SMILESC[C@@H](OC(=O)NC(C)(C)C)[C@H]1CO1
InChIInChI=1S/C9H17NO3/c1-6(7-5-12-7)13-8(11)10-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyFCPVMZCKLFCQOO-RNFRBKRXSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds2

About [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate

[(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate (PubChem CID 91158593) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate
PubChem CID91158593
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate
SMILESC[C@@H](OC(=O)NC(C)(C)C)[C@H]1CO1
InChIInChI=1S/C9H17NO3/c1-6(7-5-12-7)13-8(11)10-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyFCPVMZCKLFCQOO-RNFRBKRXSA-N
XLogP1.30
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxolan-3-yl N-tert-butylcarbamate
CID 20765341
propan-2-yl N-tert-butylcarbamate
CID 58798528
2-methoxyethyl N-tert-butylcarbamate
CID 59083138
[(3S)-oxolan-3-yl] N-tert-butylcarbamate
CID 59990336
oxiran-2-ylmethyl N-tert-butylcarbamate
CID 87453894
2-(1,3-dimethoxypropan-2-yloxy)ethyl N-tert-butylcarbamate
CID 90750625
2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate
CID 90844150
[(2R)-2-methoxypropyl] N-tert-butylcarbamate
CID 91290681
[(2S)-2-methoxypropyl] N-tert-butylcarbamate
CID 91447242
2-(2-methoxyethoxy)propyl N-tert-butylcarbamate
CID 91456424
2-(2-methoxypropoxy)ethyl N-tert-butylcarbamate
CID 91526311
[(2S)-2,3-dimethoxypropyl] N-tert-butylcarbamate
CID 91584452

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate?
The IUPAC name of [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate (CID 91158593) is [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate is C[C@@H](OC(=O)NC(C)(C)C)[C@H]1CO1.
What is the InChIKey of [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate?
The InChIKey is FCPVMZCKLFCQOO-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(7-5-12-7)13-8(11)10-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate?
[(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R)-oxiran-2-yl]ethyl] N-tert-butylcarbamate is sourced from PubChem (CID 91158593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).