methyl 2-(butylamino)-4-methylpentanoate

C11H23NO2 — CID 43230585

IUPACmethyl 2-(butylamino)-4-methylpentanoate
SMILESCCCCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-6-7-12-10(8-9(2)3)11(13)14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyFWZGNFUOMQASGZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds7

About methyl 2-(butylamino)-4-methylpentanoate

methyl 2-(butylamino)-4-methylpentanoate (PubChem CID 43230585) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-(butylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(butylamino)-4-methylpentanoate
PubChem CID43230585
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-(butylamino)-4-methylpentanoate
SMILESCCCCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-6-7-12-10(8-9(2)3)11(13)14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyFWZGNFUOMQASGZ-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 2-(butylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(butylamino)-4-methylpentanoate (CID 43230585) is methyl 2-(butylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(butylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(butylamino)-4-methylpentanoate is CCCCNC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(butylamino)-4-methylpentanoate?
The InChIKey is FWZGNFUOMQASGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-7-12-10(8-9(2)3)11(13)14-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of methyl 2-(butylamino)-4-methylpentanoate?
methyl 2-(butylamino)-4-methylpentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butylamino)-4-methylpentanoate is sourced from PubChem (CID 43230585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).