methyl 2-(dimethylamino)-3-methylpentanoate

C9H19NO2 — CID 76579667

IUPACmethyl 2-(dimethylamino)-3-methylpentanoate
SMILESCCC(C)C(C(=O)OC)N(C)C
InChIInChI=1S/C9H19NO2/c1-6-7(2)8(10(3)4)9(11)12-5/h7-8H,6H2,1-5H3
InChIKeyJQZKPEDWYIPXKC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-(dimethylamino)-3-methylpentanoate

methyl 2-(dimethylamino)-3-methylpentanoate (PubChem CID 76579667) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-3-methylpentanoate
PubChem CID76579667
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 2-(dimethylamino)-3-methylpentanoate
SMILESCCC(C)C(C(=O)OC)N(C)C
InChIInChI=1S/C9H19NO2/c1-6-7(2)8(10(3)4)9(11)12-5/h7-8H,6H2,1-5H3
InChIKeyJQZKPEDWYIPXKC-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-3-methylpentanoate?
The IUPAC name of methyl 2-(dimethylamino)-3-methylpentanoate (CID 76579667) is methyl 2-(dimethylamino)-3-methylpentanoate.
What is the SMILES notation for methyl 2-(dimethylamino)-3-methylpentanoate?
The canonical SMILES for methyl 2-(dimethylamino)-3-methylpentanoate is CCC(C)C(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-3-methylpentanoate?
The InChIKey is JQZKPEDWYIPXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-7(2)8(10(3)4)9(11)12-5/h7-8H,6H2,1-5H3.
What are the key properties of methyl 2-(dimethylamino)-3-methylpentanoate?
methyl 2-(dimethylamino)-3-methylpentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-3-methylpentanoate is sourced from PubChem (CID 76579667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).