methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate

C11H23NO2 — CID 79407101

IUPACmethyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate
SMILESCCN(C(C)C)C(C)C(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-7-12(8(2)3)10(5)9(4)11(13)14-6/h8-10H,7H2,1-6H3
InChIKeyCKNPRVSKIMNCEK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.91
Rot. Bonds5

About methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate

methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate (PubChem CID 79407101) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate
PubChem CID79407101
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate
SMILESCCN(C(C)C)C(C)C(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-7-12(8(2)3)10(5)9(4)11(13)14-6/h8-10H,7H2,1-6H3
InChIKeyCKNPRVSKIMNCEK-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
CID 79407611
methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
CID 79406836
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate
CID 79407897
dipotassium;N-ethyl-N-propan-2-ylpropan-2-amine;carbonate
CID 159108384
methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
CID 62026454
ethyl 2-[ethyl(propan-2-yl)amino]butanoate
CID 64663080
methyl 2-amino-4-[di(propan-2-yl)amino]butanoate
CID 12833060
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
methyl (2R,3R)-3-hydroxy-2-methylhexanoate
CID 12755434

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate (CID 79407101) is methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate is CCN(C(C)C)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate?
The InChIKey is CKNPRVSKIMNCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-12(8(2)3)10(5)9(4)11(13)14-6/h8-10H,7H2,1-6H3.
What are the key properties of methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate?
methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate has a molecular weight of 201.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate is sourced from PubChem (CID 79407101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).