tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate

C10H22N2O2 — CID 22664672

IUPACtert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13)
InChIKeyGKTZYOHYPBQYAX-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate

tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate (PubChem CID 22664672) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate
PubChem CID22664672
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13)
InChIKeyGKTZYOHYPBQYAX-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate (CID 22664672) is tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate is CC(C)C(CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The InChIKey is GKTZYOHYPBQYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 22664672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).