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

C13H23NO3 — CID 91704965

IUPAC4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
SMILESCC(C)CCCOC(=O)CN(C)C(=O)C1CC1
InChIInChI=1S/C13H23NO3/c1-10(2)5-4-8-17-12(15)9-14(3)13(16)11-6-7-11/h10-11H,4-9H2,1-3H3
InChIKeyLUMNSPBBMANNPI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds7

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

4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate (PubChem CID 91704965) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Name4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
PubChem CID91704965
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
SMILESCC(C)CCCOC(=O)CN(C)C(=O)C1CC1
InChIInChI=1S/C13H23NO3/c1-10(2)5-4-8-17-12(15)9-14(3)13(16)11-6-7-11/h10-11H,4-9H2,1-3H3
InChIKeyLUMNSPBBMANNPI-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
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-[cyclopropanecarbonyl(methyl)amino]acetate?
The IUPAC name of 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate (CID 91704965) is 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The canonical SMILES for 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate is CC(C)CCCOC(=O)CN(C)C(=O)C1CC1.
What is the InChIKey of 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The InChIKey is LUMNSPBBMANNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)5-4-8-17-12(15)9-14(3)13(16)11-6-7-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-[cyclopropanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91704965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).