2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate

C14H27NO4 — CID 91726099

IUPAC2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate
SMILESCCOC(=O)N(C)C(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C14H27NO4/c1-7-18-14(17)15(6)12(8-10(2)3)13(16)19-9-11(4)5/h10-12H,7-9H2,1-6H3
InChIKeyIEBCWZJJTRIGJR-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.69
Rot. Bonds7

About 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate

2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate (PubChem CID 91726099) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate
PubChem CID91726099
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate
SMILESCCOC(=O)N(C)C(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C14H27NO4/c1-7-18-14(17)15(6)12(8-10(2)3)13(16)19-9-11(4)5/h10-12H,7-9H2,1-6H3
InChIKeyIEBCWZJJTRIGJR-UHFFFAOYSA-N
XLogP2.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate?
The IUPAC name of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate (CID 91726099) is 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate.
What is the SMILES notation for 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate?
The canonical SMILES for 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate is CCOC(=O)N(C)C(CC(C)C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate?
The InChIKey is IEBCWZJJTRIGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-7-18-14(17)15(6)12(8-10(2)3)13(16)19-9-11(4)5/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate?
2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate has a molecular weight of 273.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]-4-methylpentanoate is sourced from PubChem (CID 91726099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).