tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate

C12H24N2O3 — CID 170015197

IUPACtert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate
SMILESC/C(=C/N)CCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-10(9-13)5-7-16-8-6-14-11(15)17-12(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/b10-9-
InChIKeySGWKBJSZMMAPSN-KTKRTIGZSA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds6

About tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate

tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate (PubChem CID 170015197) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate
PubChem CID170015197
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate
SMILESC/C(=C/N)CCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-10(9-13)5-7-16-8-6-14-11(15)17-12(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/b10-9-
InChIKeySGWKBJSZMMAPSN-KTKRTIGZSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate (CID 170015197) is tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate is C/C(=C/N)CCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate?
The InChIKey is SGWKBJSZMMAPSN-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(9-13)5-7-16-8-6-14-11(15)17-12(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/b10-9-.
What are the key properties of tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate?
tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(Z)-4-amino-3-methylbut-3-enoxy]ethyl]carbamate is sourced from PubChem (CID 170015197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).