methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate

C13H27NO4 — CID 103489912

IUPACmethyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCOC(C)COCC)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-6-14-13(4,12(15)16-5)8-9-18-11(3)10-17-7-2/h11,14H,6-10H2,1-5H3
InChIKeyNWXBRBYNSNTUMG-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.36
Rot. Bonds10

About methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate

methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate (PubChem CID 103489912) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
PubChem CID103489912
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Namemethyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCOC(C)COCC)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-6-14-13(4,12(15)16-5)8-9-18-11(3)10-17-7-2/h11,14H,6-10H2,1-5H3
InChIKeyNWXBRBYNSNTUMG-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Propan-2-yl 3-methyl-2-(propan-2-ylamino)butanoate
CID 575191
L-Valine, N-(1-methylethyl)-, 1-methylethyl ester
CID 22215989
Ethyl 4-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 61871357
Methyl 2-methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butanoate
CID 61935935
Ethyl 2-methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butanoate
CID 61935936
Methyl 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanoate
CID 61938993
Ethyl 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanoate
CID 61938994
Methyl 2-methyl-2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275509
Ethyl 2-(ethylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275713
Methyl 2-(ethylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275714
Ethyl 2-methyl-2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275716
Methyl 2-methyl-2-(propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66277226

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate?
The IUPAC name of methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate (CID 103489912) is methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate.
What is the SMILES notation for methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate?
The canonical SMILES for methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate is CCNC(C)(CCOC(C)COCC)C(=O)OC.
What is the InChIKey of methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate?
The InChIKey is NWXBRBYNSNTUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-6-14-13(4,12(15)16-5)8-9-18-11(3)10-17-7-2/h11,14H,6-10H2,1-5H3.
What are the key properties of methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate?
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate has a molecular weight of 261.36 g/mol, XLogP of 1.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate is sourced from PubChem (CID 103489912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).