[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate

C14H26N2O5 — CID 10968656

IUPAC[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate
SMILESCOC(=O)OCC(C)(C)NC(=O)C(C(C)C)N(C)C(C)=O
InChIInChI=1S/C14H26N2O5/c1-9(2)11(16(6)10(3)17)12(18)15-14(4,5)8-21-13(19)20-7/h9,11H,8H2,1-7H3,(H,15,18)
InChIKeyXFUZSEIKBQHNGN-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.17
Rot. Bonds6

About [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate

[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate (PubChem CID 10968656) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate.

Molecular Properties

Compound Name[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate
PubChem CID10968656
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate
SMILESCOC(=O)OCC(C)(C)NC(=O)C(C(C)C)N(C)C(C)=O
InChIInChI=1S/C14H26N2O5/c1-9(2)11(16(6)10(3)17)12(18)15-14(4,5)8-21-13(19)20-7/h9,11H,8H2,1-7H3,(H,15,18)
InChIKeyXFUZSEIKBQHNGN-UHFFFAOYSA-N
XLogP1.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate 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 [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate?
The IUPAC name of [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate (CID 10968656) is [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate.
What is the SMILES notation for [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate?
The canonical SMILES for [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate is COC(=O)OCC(C)(C)NC(=O)C(C(C)C)N(C)C(C)=O.
What is the InChIKey of [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate?
The InChIKey is XFUZSEIKBQHNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-9(2)11(16(6)10(3)17)12(18)15-14(4,5)8-21-13(19)20-7/h9,11H,8H2,1-7H3,(H,15,18).
What are the key properties of [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate?
[2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate has a molecular weight of 302.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate is sourced from PubChem (CID 10968656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).