2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate

C15H29NO4 — CID 91729962

IUPAC2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
SMILESCCCOC(=O)N(C)C(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C15H29NO4/c1-7-8-19-15(18)16(6)13(9-11(2)3)14(17)20-10-12(4)5/h11-13H,7-10H2,1-6H3
InChIKeyMXZBTLRUPDJJBU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.08
Rot. Bonds8

About 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate

2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate (PubChem CID 91729962) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate.

Molecular Properties

Compound Name2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
PubChem CID91729962
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
SMILESCCCOC(=O)N(C)C(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C15H29NO4/c1-7-8-19-15(18)16(6)13(9-11(2)3)14(17)20-10-12(4)5/h11-13H,7-10H2,1-6H3
InChIKeyMXZBTLRUPDJJBU-UHFFFAOYSA-N
XLogP3.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
The IUPAC name of 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate (CID 91729962) is 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate.
What is the SMILES notation for 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
The canonical SMILES for 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate is CCCOC(=O)N(C)C(CC(C)C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
The InChIKey is MXZBTLRUPDJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-7-8-19-15(18)16(6)13(9-11(2)3)14(17)20-10-12(4)5/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate has a molecular weight of 287.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate is sourced from PubChem (CID 91729962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).