methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate

C14H27NO3 — CID 114623837

IUPACmethyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate
SMILESCOC(=O)CN(C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO3/c1-10(2)15(9-12(16)17-7)11-8-13(3,4)18-14(11,5)6/h10-11H,8-9H2,1-7H3
InChIKeyVUAXSHZDSPFPLO-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate

methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate (PubChem CID 114623837) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate
PubChem CID114623837
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate
SMILESCOC(=O)CN(C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO3/c1-10(2)15(9-12(16)17-7)11-8-13(3,4)18-14(11,5)6/h10-11H,8-9H2,1-7H3
InChIKeyVUAXSHZDSPFPLO-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]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-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
methyl 3-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylbutanoate
CID 114621054
methyl 2-[[2-[(3-hydroxy-2-oxopropyl)-(2-hydroxypropan-2-yl)amino]cyclohexyl]-propan-2-ylamino]acetate
CID 170057676
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
CID 114623867
N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
CID 114621224
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
CID 115536847
methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate
CID 79933585
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
2-methyl-2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoic acid
CID 79934216
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 104940294
2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide
CID 114621309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate (CID 114623837) is methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate is COC(=O)CN(C(C)C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate?
The InChIKey is VUAXSHZDSPFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(2)15(9-12(16)17-7)11-8-13(3,4)18-14(11,5)6/h10-11H,8-9H2,1-7H3.
What are the key properties of methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate?
methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate is sourced from PubChem (CID 114623837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).