tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate

C9H17N3O2 — CID 153338827

IUPACtert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C1(C)N=N1
InChIInChI=1S/C9H17N3O2/c1-6(9(5)11-12-9)10-7(13)14-8(2,3)4/h6H,1-5H3,(H,10,13)/t6-/m0/s1
InChIKeyNRDFAIPGXZUKMH-LURJTMIESA-N
MW199.25 g/mol
LogP2.08
Rot. Bonds2

About tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate (PubChem CID 153338827) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate
PubChem CID153338827
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Nametert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C1(C)N=N1
InChIInChI=1S/C9H17N3O2/c1-6(9(5)11-12-9)10-7(13)14-8(2,3)4/h6H,1-5H3,(H,10,13)/t6-/m0/s1
InChIKeyNRDFAIPGXZUKMH-LURJTMIESA-N
XLogP2.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate (CID 153338827) is tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C1(C)N=N1.
What is the InChIKey of tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate?
The InChIKey is NRDFAIPGXZUKMH-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(9(5)11-12-9)10-7(13)14-8(2,3)4/h6H,1-5H3,(H,10,13)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate has a molecular weight of 199.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(3-methyldiazirin-3-yl)ethyl]carbamate is sourced from PubChem (CID 153338827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).