N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C11H18N2O5S — CID 79681795

IUPACN-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSCC(O)CO)NC(=O)CN1CCCC1=O
InChIInChI=1S/C11H18N2O5S/c14-5-8(15)6-19-7-10(17)12-9(16)4-13-3-1-2-11(13)18/h8,14-15H,1-7H2,(H,12,16,17)
InChIKeyFGEMTVORDFENHP-UHFFFAOYSA-N
MW290.34 g/mol
LogP-1.66
Rot. Bonds7

About N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 79681795) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID79681795
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC NameN-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSCC(O)CO)NC(=O)CN1CCCC1=O
InChIInChI=1S/C11H18N2O5S/c14-5-8(15)6-19-7-10(17)12-9(16)4-13-3-1-2-11(13)18/h8,14-15H,1-7H2,(H,12,16,17)
InChIKeyFGEMTVORDFENHP-UHFFFAOYSA-N
XLogP-1.66
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid
CID 43440575
2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105353266
3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105354154
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 62013967
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 66260458
N-[2-[ethyl(2-hydroxyethyl)amino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 60686109
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 79030579
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103769873
2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726264
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 79681795) is N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CSCC(O)CO)NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is FGEMTVORDFENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c14-5-8(15)6-19-7-10(17)12-9(16)4-13-3-1-2-11(13)18/h8,14-15H,1-7H2,(H,12,16,17).
What are the key properties of N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 290.34 g/mol, XLogP of -1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 79681795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).