ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

C8H16N2O3 — CID 54228153

IUPACethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCCOC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C8H16N2O3/c1-4-13-8(12)10-6(5(2)3)7(9)11/h5-6H,4H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyBYSNEVGVAUHXJV-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.24
Rot. Bonds4

About ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (PubChem CID 54228153) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
PubChem CID54228153
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCCOC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C8H16N2O3/c1-4-13-8(12)10-6(5(2)3)7(9)11/h5-6H,4H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyBYSNEVGVAUHXJV-UHFFFAOYSA-N
XLogP0.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (CID 54228153) is ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is CCOC(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The InChIKey is BYSNEVGVAUHXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-13-8(12)10-6(5(2)3)7(9)11/h5-6H,4H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 54228153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).