methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate

C12H23NO3 — CID 82727620

IUPACmethyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate
SMILESCCC(C)C(NC1CCOC1C)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-5-8(2)11(12(14)15-4)13-10-6-7-16-9(10)3/h8-11,13H,5-7H2,1-4H3
InChIKeySQNYNLHKIORGRJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds5

About methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate

methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate (PubChem CID 82727620) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate
PubChem CID82727620
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate
SMILESCCC(C)C(NC1CCOC1C)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-5-8(2)11(12(14)15-4)13-10-6-7-16-9(10)3/h8-11,13H,5-7H2,1-4H3
InChIKeySQNYNLHKIORGRJ-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate (CID 82727620) is methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate is CCC(C)C(NC1CCOC1C)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate?
The InChIKey is SQNYNLHKIORGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-8(2)11(12(14)15-4)13-10-6-7-16-9(10)3/h8-11,13H,5-7H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate?
methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate is sourced from PubChem (CID 82727620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).