ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate

C10H21NO2S — CID 66230144

IUPACethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate
SMILESCCOC(=O)C(CC)SCC(C)(C)N
InChIInChI=1S/C10H21NO2S/c1-5-8(9(12)13-6-2)14-7-10(3,4)11/h8H,5-7,11H2,1-4H3
InChIKeyJCKWPVOTCHEOQI-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.80
Rot. Bonds6

About ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate

ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate (PubChem CID 66230144) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate
PubChem CID66230144
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate
SMILESCCOC(=O)C(CC)SCC(C)(C)N
InChIInChI=1S/C10H21NO2S/c1-5-8(9(12)13-6-2)14-7-10(3,4)11/h8H,5-7,11H2,1-4H3
InChIKeyJCKWPVOTCHEOQI-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanylbutanoic acid
CID 66228973
ethyl 2-(3-aminobutylsulfanyl)butanoate
CID 66233454
3-(1-ethoxy-1-oxobutan-2-yl)sulfanyl-2-formamidopropanoic acid
CID 64663170
2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
CID 66230141
ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]butanoate
CID 107775825
ethyl 2-(1-aminopropan-2-ylsulfanyl)butanoate
CID 66242652
diethyl 2-[(1,3-diethoxy-1,3-dioxopropan-2-yl)disulfanyl]propanedioate
CID 139622070
ethyl 4-(2-amino-2-methylpropyl)sulfanyl-3-hydroxybutanoate
CID 82775959
ethyl 3-(2-amino-2-methylpropyl)sulfanylpropanoate
CID 66228269
CID 89328351
CID 89328351
ethyl 2-butan-2-ylsulfanylpentanoate
CID 83038270
ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate
CID 102207719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate?
The IUPAC name of ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate (CID 66230144) is ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate.
What is the SMILES notation for ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate?
The canonical SMILES for ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate is CCOC(=O)C(CC)SCC(C)(C)N.
What is the InChIKey of ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate?
The InChIKey is JCKWPVOTCHEOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-8(9(12)13-6-2)14-7-10(3,4)11/h8H,5-7,11H2,1-4H3.
What are the key properties of ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate?
ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate has a molecular weight of 219.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate is sourced from PubChem (CID 66230144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).