2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid

C9H17NO6S — CID 79558619

IUPAC2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(CNC(=O)COCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H17NO6S/c1-9(2,17(3,14)15)6-10-7(11)4-16-5-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyMNMVKMVSFHPBCN-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.97
Rot. Bonds7

About 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 79558619) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid
PubChem CID79558619
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(CNC(=O)COCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H17NO6S/c1-9(2,17(3,14)15)6-10-7(11)4-16-5-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyMNMVKMVSFHPBCN-UHFFFAOYSA-N
XLogP-0.97
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
CID 107032221
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
2-[carboxymethyl-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]amino]acetic acid
CID 79556078
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
2-(1-aminocyclopentyl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 79551122
2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide
CID 79557245
4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid
CID 79556227

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid (CID 79558619) is 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid is CC(C)(CNC(=O)COCC(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is MNMVKMVSFHPBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-9(2,17(3,14)15)6-10-7(11)4-16-5-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 267.30 g/mol, XLogP of -0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 79558619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).