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

C10H19NO3 — CID 82726709

IUPACmethyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCOC1C
InChIInChI=1S/C10H19NO3/c1-7-8(5-6-14-7)11-10(2,3)9(12)13-4/h7-8,11H,5-6H2,1-4H3
InChIKeyQHWWCDODPAWFAX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.70
Rot. Bonds3

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

methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate (PubChem CID 82726709) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
PubChem CID82726709
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCOC1C
InChIInChI=1S/C10H19NO3/c1-7-8(5-6-14-7)11-10(2,3)9(12)13-4/h7-8,11H,5-6H2,1-4H3
InChIKeyQHWWCDODPAWFAX-UHFFFAOYSA-N
XLogP0.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate (CID 82726709) is methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate is COC(=O)C(C)(C)NC1CCOC1C.
What is the InChIKey of methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate?
The InChIKey is QHWWCDODPAWFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-8(5-6-14-7)11-10(2,3)9(12)13-4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate?
methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate is sourced from PubChem (CID 82726709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).