methyl 3-[methyl(pentyl)amino]propanoate

C10H21NO2 — CID 16726422

IUPACmethyl 3-[methyl(pentyl)amino]propanoate
SMILESCCCCCN(C)CCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-5-6-8-11(2)9-7-10(12)13-3/h4-9H2,1-3H3
InChIKeyZWKFEVVFVAGPDE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About methyl 3-[methyl(pentyl)amino]propanoate

methyl 3-[methyl(pentyl)amino]propanoate (PubChem CID 16726422) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-[methyl(pentyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(pentyl)amino]propanoate
PubChem CID16726422
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-[methyl(pentyl)amino]propanoate
SMILESCCCCCN(C)CCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-5-6-8-11(2)9-7-10(12)13-3/h4-9H2,1-3H3
InChIKeyZWKFEVVFVAGPDE-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
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 methyl 3-[methyl(pentyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(pentyl)amino]propanoate (CID 16726422) is methyl 3-[methyl(pentyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(pentyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(pentyl)amino]propanoate is CCCCCN(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[methyl(pentyl)amino]propanoate?
The InChIKey is ZWKFEVVFVAGPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-8-11(2)9-7-10(12)13-3/h4-9H2,1-3H3.
What are the key properties of methyl 3-[methyl(pentyl)amino]propanoate?
methyl 3-[methyl(pentyl)amino]propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(pentyl)amino]propanoate is sourced from PubChem (CID 16726422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).