2-methylpentyl 5-amino-4-oxopentanoate

C11H21NO3 — CID 10176753

IUPAC2-methylpentyl 5-amino-4-oxopentanoate
SMILESCCCC(C)COC(=O)CCC(=O)CN
InChIInChI=1S/C11H21NO3/c1-3-4-9(2)8-15-11(14)6-5-10(13)7-12/h9H,3-8,12H2,1-2H3
InChIKeySCAKPIXDAZCYRT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.27
Rot. Bonds8

About 2-methylpentyl 5-amino-4-oxopentanoate

2-methylpentyl 5-amino-4-oxopentanoate (PubChem CID 10176753) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methylpentyl 5-amino-4-oxopentanoate.

Molecular Properties

Compound Name2-methylpentyl 5-amino-4-oxopentanoate
PubChem CID10176753
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methylpentyl 5-amino-4-oxopentanoate
SMILESCCCC(C)COC(=O)CCC(=O)CN
InChIInChI=1S/C11H21NO3/c1-3-4-9(2)8-15-11(14)6-5-10(13)7-12/h9H,3-8,12H2,1-2H3
InChIKeySCAKPIXDAZCYRT-UHFFFAOYSA-N
XLogP1.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 5-amino-4-oxopentanoate?
The IUPAC name of 2-methylpentyl 5-amino-4-oxopentanoate (CID 10176753) is 2-methylpentyl 5-amino-4-oxopentanoate.
What is the SMILES notation for 2-methylpentyl 5-amino-4-oxopentanoate?
The canonical SMILES for 2-methylpentyl 5-amino-4-oxopentanoate is CCCC(C)COC(=O)CCC(=O)CN.
What is the InChIKey of 2-methylpentyl 5-amino-4-oxopentanoate?
The InChIKey is SCAKPIXDAZCYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-9(2)8-15-11(14)6-5-10(13)7-12/h9H,3-8,12H2,1-2H3.
What are the key properties of 2-methylpentyl 5-amino-4-oxopentanoate?
2-methylpentyl 5-amino-4-oxopentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 5-amino-4-oxopentanoate is sourced from PubChem (CID 10176753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).