2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid

C11H18N2O5S — CID 43356250

IUPAC2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O5S/c1-12(6-11(16)17)9(14)7-19-8-10(15)13-2-4-18-5-3-13/h2-8H2,1H3,(H,16,17)
InChIKeyQCVFRSSBLHOLQA-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.88
Rot. Bonds6

About 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid

2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid (PubChem CID 43356250) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid
PubChem CID43356250
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O5S/c1-12(6-11(16)17)9(14)7-19-8-10(15)13-2-4-18-5-3-13/h2-8H2,1H3,(H,16,17)
InChIKeyQCVFRSSBLHOLQA-UHFFFAOYSA-N
XLogP-0.88
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid (CID 43356250) is 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid is CN(CC(=O)O)C(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid?
The InChIKey is QCVFRSSBLHOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-12(6-11(16)17)9(14)7-19-8-10(15)13-2-4-18-5-3-13/h2-8H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid?
2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid has a molecular weight of 290.34 g/mol, XLogP of -0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 43356250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).