methyl 4-methyl-2-(methylamino)pentanoate

C8H17NO2 — CID 523517

IUPACmethyl 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3
InChIKeyNYXMJFGTJZTHPT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.79
Rot. Bonds4

About methyl 4-methyl-2-(methylamino)pentanoate

methyl 4-methyl-2-(methylamino)pentanoate (PubChem CID 523517) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl 4-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(methylamino)pentanoate
PubChem CID523517
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3
InChIKeyNYXMJFGTJZTHPT-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(methylamino)pentanoate (CID 523517) is methyl 4-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(methylamino)pentanoate is CNC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-(methylamino)pentanoate?
The InChIKey is NYXMJFGTJZTHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3.
What are the key properties of methyl 4-methyl-2-(methylamino)pentanoate?
methyl 4-methyl-2-(methylamino)pentanoate has a molecular weight of 159.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 523517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).