ethane;methyl 2-[ethyl(methyl)amino]butanoate

C10H23NO2 — CID 145131667

IUPACethane;methyl 2-[ethyl(methyl)amino]butanoate
SMILESCC.CCC(C(=O)OC)N(C)CC
InChIInChI=1S/C8H17NO2.C2H6/c1-5-7(8(10)11-4)9(3)6-2;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyWGCWFEOGBGGMSO-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.92
Rot. Bonds4

About ethane;methyl 2-[ethyl(methyl)amino]butanoate

ethane;methyl 2-[ethyl(methyl)amino]butanoate (PubChem CID 145131667) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;methyl 2-[ethyl(methyl)amino]butanoate.

Molecular Properties

Compound Nameethane;methyl 2-[ethyl(methyl)amino]butanoate
PubChem CID145131667
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;methyl 2-[ethyl(methyl)amino]butanoate
SMILESCC.CCC(C(=O)OC)N(C)CC
InChIInChI=1S/C8H17NO2.C2H6/c1-5-7(8(10)11-4)9(3)6-2;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyWGCWFEOGBGGMSO-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(dimethylamino)butanoate
CID 14644900
methyl (2R)-2-(diethylamino)butanoate
CID 30030921
methyl 2-[methyl-[(2E)-penta-2,4-dienyl]amino]butanoate
CID 101060319
methyl (2R)-2-[chloro(methyl)amino]pentanoate
CID 137490579
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
methyl 2-(dimethylamino)-3-methoxypropanoate
CID 59922480
methyl 2-[ethyl-(2-formamidoacetyl)amino]butanoate
CID 142090702
ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
CID 64663599
ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
CID 143677823
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
CID 18914281

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[ethyl(methyl)amino]butanoate?
The IUPAC name of ethane;methyl 2-[ethyl(methyl)amino]butanoate (CID 145131667) is ethane;methyl 2-[ethyl(methyl)amino]butanoate.
What is the SMILES notation for ethane;methyl 2-[ethyl(methyl)amino]butanoate?
The canonical SMILES for ethane;methyl 2-[ethyl(methyl)amino]butanoate is CC.CCC(C(=O)OC)N(C)CC.
What is the InChIKey of ethane;methyl 2-[ethyl(methyl)amino]butanoate?
The InChIKey is WGCWFEOGBGGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-5-7(8(10)11-4)9(3)6-2;1-2/h7H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;methyl 2-[ethyl(methyl)amino]butanoate?
ethane;methyl 2-[ethyl(methyl)amino]butanoate has a molecular weight of 189.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[ethyl(methyl)amino]butanoate is sourced from PubChem (CID 145131667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).