tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate

C10H17NO4 — CID 59351920

IUPACtert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1(O)C1CO1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(12)11-6-4-10(6,13)7-5-14-7/h6-7,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFGMJLOQYUIUYDS-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.41
Rot. Bonds2

About tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate

tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate (PubChem CID 59351920) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate
PubChem CID59351920
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1(O)C1CO1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(12)11-6-4-10(6,13)7-5-14-7/h6-7,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFGMJLOQYUIUYDS-UHFFFAOYSA-N
XLogP0.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
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tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
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CID 175551974
tert-butyl N-[(4R)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
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tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
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tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
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tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
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CID 24774076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate (CID 59351920) is tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1(O)C1CO1.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate?
The InChIKey is FGMJLOQYUIUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-8(12)11-6-4-10(6,13)7-5-14-7/h6-7,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate?
tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate has a molecular weight of 215.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate is sourced from PubChem (CID 59351920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).