ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate

C10H21NO2S — CID 83038469

IUPACethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate
SMILESCCCC(SC(C)CN)C(=O)OCC
InChIInChI=1S/C10H21NO2S/c1-4-6-9(10(12)13-5-2)14-8(3)7-11/h8-9H,4-7,11H2,1-3H3
InChIKeyLCDSHHQOYLKVFU-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.80
Rot. Bonds7

About ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate

ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate (PubChem CID 83038469) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate
PubChem CID83038469
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate
SMILESCCCC(SC(C)CN)C(=O)OCC
InChIInChI=1S/C10H21NO2S/c1-4-6-9(10(12)13-5-2)14-8(3)7-11/h8-9H,4-7,11H2,1-3H3
InChIKeyLCDSHHQOYLKVFU-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

ethyl 2-(1-aminopropan-2-ylsulfanyl)butanoate
CID 66242652
ethyl 2-butan-2-ylsulfanylpentanoate
CID 83038270
ethyl 2-propan-2-ylsulfanylpentanoate
CID 83037913
ethyl 2-(3-aminopropylsulfanyl)pentanoate
CID 83038657
ethyl 2-(1-aminopropan-2-ylsulfanyl)-2-phenylacetate
CID 106676902
tridecyl 2-(1-oxo-1-tridecoxypentan-2-yl)sulfanylpentanoate
CID 134207786
ethyl 2-(2-methylphenyl)sulfanylpentanoate
CID 79004796
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
CID 83047696
(2S)-2-amino-3-(1-ethoxy-1-oxopentan-2-yl)sulfanyl-3-methylbutanoic acid
CID 106443376
2-(4-methoxy-4-oxobutan-2-yl)sulfanylpentanoic acid
CID 83037924
ethyl 2-(3-aminobutylsulfanyl)butanoate
CID 66233454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate?
The IUPAC name of ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate (CID 83038469) is ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate.
What is the SMILES notation for ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate?
The canonical SMILES for ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate is CCCC(SC(C)CN)C(=O)OCC.
What is the InChIKey of ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate?
The InChIKey is LCDSHHQOYLKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-6-9(10(12)13-5-2)14-8(3)7-11/h8-9H,4-7,11H2,1-3H3.
What are the key properties of ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate?
ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate has a molecular weight of 219.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate is sourced from PubChem (CID 83038469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).