tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate

C8H16N2O3 — CID 545702

IUPACtert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyGZKKSKKIABUUCX-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.38
Rot. Bonds2

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

tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate (PubChem CID 545702) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate
PubChem CID545702
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyGZKKSKKIABUUCX-UHFFFAOYSA-N
XLogP0.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.38
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-1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate (CID 545702) is tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate is CC(NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate?
The InChIKey is GZKKSKKIABUUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12).
What are the key properties of tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate?
tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.38, 2 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-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 545702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).