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

C16H31NO4 — CID 91732808

IUPAC2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate
SMILESCC(C)COC(=O)C(CC(C)C)N(C)C(=O)OCC(C)C
InChIInChI=1S/C16H31NO4/c1-11(2)8-14(15(18)20-9-12(3)4)17(7)16(19)21-10-13(5)6/h11-14H,8-10H2,1-7H3
InChIKeyJOMTYNZJCKLJBL-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.32
Rot. Bonds8

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

2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate (PubChem CID 91732808) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate.

Molecular Properties

Compound Name2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate
PubChem CID91732808
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate
SMILESCC(C)COC(=O)C(CC(C)C)N(C)C(=O)OCC(C)C
InChIInChI=1S/C16H31NO4/c1-11(2)8-14(15(18)20-9-12(3)4)17(7)16(19)21-10-13(5)6/h11-14H,8-10H2,1-7H3
InChIKeyJOMTYNZJCKLJBL-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.32
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(2-methylpropoxycarbonyl)amino]pentanoate?
The IUPAC name of 2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate (CID 91732808) is 2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate.
What is the SMILES notation for 2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate?
The canonical SMILES for 2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate is CC(C)COC(=O)C(CC(C)C)N(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate?
The InChIKey is JOMTYNZJCKLJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-11(2)8-14(15(18)20-9-12(3)4)17(7)16(19)21-10-13(5)6/h11-14H,8-10H2,1-7H3.
What are the key properties of 2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate?
2-methylpropyl 4-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]pentanoate has a molecular weight of 301.43 g/mol, XLogP of 3.32, 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(2-methylpropoxycarbonyl)amino]pentanoate is sourced from PubChem (CID 91732808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).