[4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate

C14H25NO5 — CID 59571390

IUPAC[4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate
SMILESCC(=O)C(NC(=O)CC(C)OC(=O)OC(C)C)C(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)13(11(6)16)15-12(17)7-10(5)20-14(18)19-9(3)4/h8-10,13H,7H2,1-6H3,(H,15,17)
InChIKeyCDEPZMLNBGDIHA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds7

About [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate

[4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate (PubChem CID 59571390) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate
PubChem CID59571390
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name[4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate
SMILESCC(=O)C(NC(=O)CC(C)OC(=O)OC(C)C)C(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)13(11(6)16)15-12(17)7-10(5)20-14(18)19-9(3)4/h8-10,13H,7H2,1-6H3,(H,15,17)
InChIKeyCDEPZMLNBGDIHA-UHFFFAOYSA-N
XLogP2.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate?
The IUPAC name of [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate (CID 59571390) is [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate?
The canonical SMILES for [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate is CC(=O)C(NC(=O)CC(C)OC(=O)OC(C)C)C(C)C.
What is the InChIKey of [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate?
The InChIKey is CDEPZMLNBGDIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-8(2)13(11(6)16)15-12(17)7-10(5)20-14(18)19-9(3)4/h8-10,13H,7H2,1-6H3,(H,15,17).
What are the key properties of [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate?
[4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate has a molecular weight of 287.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate is sourced from PubChem (CID 59571390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).