2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid

C11H18N2O4S — CID 166506395

IUPAC2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESC[C@@H]1CCC(=O)N1CCNC(=O)CSCC(=O)O
InChIInChI=1S/C11H18N2O4S/c1-8-2-3-10(15)13(8)5-4-12-9(14)6-18-7-11(16)17/h8H,2-7H2,1H3,(H,12,14)(H,16,17)/t8-/m1/s1
InChIKeyQMBLWQMMYRNDEZ-MRVPVSSYSA-N
MW274.34 g/mol
LogP-0.07
Rot. Bonds7

About 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid

2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 166506395) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
PubChem CID166506395
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESC[C@@H]1CCC(=O)N1CCNC(=O)CSCC(=O)O
InChIInChI=1S/C11H18N2O4S/c1-8-2-3-10(15)13(8)5-4-12-9(14)6-18-7-11(16)17/h8H,2-7H2,1H3,(H,12,14)(H,16,17)/t8-/m1/s1
InChIKeyQMBLWQMMYRNDEZ-MRVPVSSYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid (CID 166506395) is 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid is C[C@@H]1CCC(=O)N1CCNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is QMBLWQMMYRNDEZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8-2-3-10(15)13(8)5-4-12-9(14)6-18-7-11(16)17/h8H,2-7H2,1H3,(H,12,14)(H,16,17)/t8-/m1/s1.
What are the key properties of 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 274.34 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 166506395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).