4-methylpentyl 2-[methyl(pentanoyl)amino]acetate

C14H27NO3 — CID 91692129

IUPAC4-methylpentyl 2-[methyl(pentanoyl)amino]acetate
SMILESCCCCC(=O)N(C)CC(=O)OCCCC(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-9-13(16)15(4)11-14(17)18-10-7-8-12(2)3/h12H,5-11H2,1-4H3
InChIKeyFLTRRMZRPBGRHB-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.61
Rot. Bonds9

About 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate

4-methylpentyl 2-[methyl(pentanoyl)amino]acetate (PubChem CID 91692129) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate.

Molecular Properties

Compound Name4-methylpentyl 2-[methyl(pentanoyl)amino]acetate
PubChem CID91692129
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-methylpentyl 2-[methyl(pentanoyl)amino]acetate
SMILESCCCCC(=O)N(C)CC(=O)OCCCC(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-9-13(16)15(4)11-14(17)18-10-7-8-12(2)3/h12H,5-11H2,1-4H3
InChIKeyFLTRRMZRPBGRHB-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate?
The IUPAC name of 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate (CID 91692129) is 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate.
What is the SMILES notation for 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate?
The canonical SMILES for 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate is CCCCC(=O)N(C)CC(=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate?
The InChIKey is FLTRRMZRPBGRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-9-13(16)15(4)11-14(17)18-10-7-8-12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate?
4-methylpentyl 2-[methyl(pentanoyl)amino]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-[methyl(pentanoyl)amino]acetate is sourced from PubChem (CID 91692129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).