ethyl 3-(dimethylamino)butanoate

C8H17NO2 — CID 3020377

IUPACethyl 3-(dimethylamino)butanoate
SMILESCCOC(=O)CC(C)N(C)C
InChIInChI=1S/C8H17NO2/c1-5-11-8(10)6-7(2)9(3)4/h7H,5-6H2,1-4H3
InChIKeyJKSXUJFHXQYFMR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds4

About ethyl 3-(dimethylamino)butanoate

ethyl 3-(dimethylamino)butanoate (PubChem CID 3020377) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)butanoate
PubChem CID3020377
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 3-(dimethylamino)butanoate
SMILESCCOC(=O)CC(C)N(C)C
InChIInChI=1S/C8H17NO2/c1-5-11-8(10)6-7(2)9(3)4/h7H,5-6H2,1-4H3
InChIKeyJKSXUJFHXQYFMR-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl 3-[1-cyanopropan-2-yl(methyl)amino]butanoate
CID 63223074
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064
ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)butanoate?
The IUPAC name of ethyl 3-(dimethylamino)butanoate (CID 3020377) is ethyl 3-(dimethylamino)butanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)butanoate?
The canonical SMILES for ethyl 3-(dimethylamino)butanoate is CCOC(=O)CC(C)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)butanoate?
The InChIKey is JKSXUJFHXQYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-11-8(10)6-7(2)9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 3-(dimethylamino)butanoate?
ethyl 3-(dimethylamino)butanoate has a molecular weight of 159.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)butanoate is sourced from PubChem (CID 3020377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).