2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid

C12H20N2O4S — CID 170372445

IUPAC2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCC[C@H]1CCC(=O)N1CCNC(=O)CSCC(=O)O
InChIInChI=1S/C12H20N2O4S/c1-2-9-3-4-11(16)14(9)6-5-13-10(15)7-19-8-12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18)/t9-/m0/s1
InChIKeyARMJQRUAYNUCNR-VIFPVBQESA-N
MW288.37 g/mol
LogP0.32
Rot. Bonds8

About 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid

2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 170372445) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
PubChem CID170372445
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCC[C@H]1CCC(=O)N1CCNC(=O)CSCC(=O)O
InChIInChI=1S/C12H20N2O4S/c1-2-9-3-4-11(16)14(9)6-5-13-10(15)7-19-8-12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18)/t9-/m0/s1
InChIKeyARMJQRUAYNUCNR-VIFPVBQESA-N
XLogP0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139512107
2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 166506395
2-[2-[2-(4-methyl-2-oxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 167261146
2-[2-[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516852
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800
2-[2-[2-[(3S)-3-hydroxy-2-oxopiperidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516887
N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide
CID 141318866
2-ethyl-5-oxopyrrolidine-1-carboxylic acid
CID 170340373
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
CID 139516814
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide
CID 139516849
2-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569132
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide
CID 139516879

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid (CID 170372445) is 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid is CC[C@H]1CCC(=O)N1CCNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is ARMJQRUAYNUCNR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-9-3-4-11(16)14(9)6-5-13-10(15)7-19-8-12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18)/t9-/m0/s1.
What are the key properties of 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 288.37 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2S)-2-ethyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 170372445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).