2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid

C10H19N3O5S — CID 43442487

IUPAC2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19N3O5S/c1-11(8-10(15)16)7-9(14)12-3-5-13(6-4-12)19(2,17)18/h3-8H2,1-2H3,(H,15,16)
InChIKeyWLLLNNCRTCJPQI-UHFFFAOYSA-N
MW293.34 g/mol
LogP-1.89
Rot. Bonds5

About 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid

2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid (PubChem CID 43442487) has the molecular formula C10H19N3O5S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid
PubChem CID43442487
Molecular FormulaC10H19N3O5S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19N3O5S/c1-11(8-10(15)16)7-9(14)12-3-5-13(6-4-12)19(2,17)18/h3-8H2,1-2H3,(H,15,16)
InChIKeyWLLLNNCRTCJPQI-UHFFFAOYSA-N
XLogP-1.89
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62993110
2-[carboxymethyl-(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 63646511
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62016338
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[(4-methylsulfonylpiperazine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283806
2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62992600
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718
2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115586808
2-[[2-[4,7-bis[2-[bis(carboxymethyl)amino]acetyl]-1,4,7-triazonan-1-yl]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 10304966
2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55827974
3-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911648
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid (CID 43442487) is 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid is CN(CC(=O)O)CC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid?
The InChIKey is WLLLNNCRTCJPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-11(8-10(15)16)7-9(14)12-3-5-13(6-4-12)19(2,17)18/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid?
2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid has a molecular weight of 293.34 g/mol, XLogP of -1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43442487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).