methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate

C9H17NO3 — CID 82717713

IUPACmethyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
SMILESCNC1(CC(=O)OC)CCOC1C
InChIInChI=1S/C9H17NO3/c1-7-9(10-2,4-5-13-7)6-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyZLJKWEIZTXLIRI-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate

methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate (PubChem CID 82717713) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
PubChem CID82717713
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
SMILESCNC1(CC(=O)OC)CCOC1C
InChIInChI=1S/C9H17NO3/c1-7-9(10-2,4-5-13-7)6-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyZLJKWEIZTXLIRI-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[3-(methylamino)oxolan-3-yl]acetate hydrochloride
CID 75525816
(4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one
CID 143653951
Methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)butanoate
CID 61951678
Ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)butanoate
CID 61951679
Ethyl 2-[3-(dimethylamino)oxolan-3-yl]acetate
CID 64541597
Ethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
CID 64705907
Methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
CID 64706741
Ethyl 2-[3-(ethylamino)oxolan-3-yl]acetate
CID 65233777
2-[3-(Ethylamino)oxolan-3-yl]acetic acid
CID 65234151
Ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate
CID 65234325
Methyl 2-[3-(methylamino)oxolan-3-yl]acetate
CID 65234538
Methyl 2-[3-(ethylamino)oxolan-3-yl]acetate
CID 65235017

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate (CID 82717713) is methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate is CNC1(CC(=O)OC)CCOC1C.
What is the InChIKey of methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate?
The InChIKey is ZLJKWEIZTXLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-9(10-2,4-5-13-7)6-8(11)12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate?
methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate is sourced from PubChem (CID 82717713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).