ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate

C12H19NO5S — CID 114233111

IUPACethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CS(=O)CC(=O)NC1CC1
InChIInChI=1S/C12H19NO5S/c1-2-18-12(16)6-5-10(14)7-19(17)8-11(15)13-9-3-4-9/h9H,2-8H2,1H3,(H,13,15)
InChIKeyMNYOEIJUPXTUNS-UHFFFAOYSA-N
MW289.35 g/mol
LogP-0.07
Rot. Bonds9

About ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate

ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate (PubChem CID 114233111) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate
PubChem CID114233111
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Nameethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CS(=O)CC(=O)NC1CC1
InChIInChI=1S/C12H19NO5S/c1-2-18-12(16)6-5-10(14)7-19(17)8-11(15)13-9-3-4-9/h9H,2-8H2,1H3,(H,13,15)
InChIKeyMNYOEIJUPXTUNS-UHFFFAOYSA-N
XLogP-0.07
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
CID 81194624
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate
CID 59002737
ethyl 5-(2-methylbutylsulfinyl)-4-oxopentanoate
CID 107767867
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate?
The IUPAC name of ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate (CID 114233111) is ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate?
The canonical SMILES for ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate is CCOC(=O)CCC(=O)CS(=O)CC(=O)NC1CC1.
What is the InChIKey of ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate?
The InChIKey is MNYOEIJUPXTUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-2-18-12(16)6-5-10(14)7-19(17)8-11(15)13-9-3-4-9/h9H,2-8H2,1H3,(H,13,15).
What are the key properties of ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate?
ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate has a molecular weight of 289.35 g/mol, XLogP of -0.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate is sourced from PubChem (CID 114233111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).