ethyl (2S)-2-(dimethylamino)butanoate

C8H17NO2 — CID 51673671

IUPACethyl (2S)-2-(dimethylamino)butanoate
SMILESCCOC(=O)[C@H](CC)N(C)C
InChIInChI=1S/C8H17NO2/c1-5-7(9(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyUEVIBTFAJWWRKS-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds4

About ethyl (2S)-2-(dimethylamino)butanoate

ethyl (2S)-2-(dimethylamino)butanoate (PubChem CID 51673671) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl (2S)-2-(dimethylamino)butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(dimethylamino)butanoate
PubChem CID51673671
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl (2S)-2-(dimethylamino)butanoate
SMILESCCOC(=O)[C@H](CC)N(C)C
InChIInChI=1S/C8H17NO2/c1-5-7(9(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyUEVIBTFAJWWRKS-ZETCQYMHSA-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

methyl 2-(dimethylamino)butanoate
CID 14644900
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
ethyl (2S)-2,6-bis(dimethylamino)hexanoate
CID 22213734
diethyl 2-(dimethylamino)-4-methylidenepentanedioate
CID 121012578
ethyl 2-[cyanomethyl(methyl)amino]butanoate
CID 64660730
ethyl 2-[ethyl(propan-2-yl)amino]butanoate
CID 64663080
ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
CID 64663599
ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
CID 115665703
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
CID 103189712
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
ethyl 2-[bis(cyanomethyl)amino]butanoate
CID 64661054

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(dimethylamino)butanoate?
The IUPAC name of ethyl (2S)-2-(dimethylamino)butanoate (CID 51673671) is ethyl (2S)-2-(dimethylamino)butanoate.
What is the SMILES notation for ethyl (2S)-2-(dimethylamino)butanoate?
The canonical SMILES for ethyl (2S)-2-(dimethylamino)butanoate is CCOC(=O)[C@H](CC)N(C)C.
What is the InChIKey of ethyl (2S)-2-(dimethylamino)butanoate?
The InChIKey is UEVIBTFAJWWRKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-7(9(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-(dimethylamino)butanoate?
ethyl (2S)-2-(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 (2S)-2-(dimethylamino)butanoate is sourced from PubChem (CID 51673671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).