2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid

C11H15NO4S — CID 79476518

IUPAC2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(CCc1cccs1)C(=O)COCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-12(5-4-9-3-2-6-17-9)10(13)7-16-8-11(14)15/h2-3,6H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyMSWMQVBXJWPIHP-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.85
Rot. Bonds7

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

2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 79476518) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID79476518
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(CCc1cccs1)C(=O)COCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-12(5-4-9-3-2-6-17-9)10(13)7-16-8-11(14)15/h2-3,6H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyMSWMQVBXJWPIHP-UHFFFAOYSA-N
XLogP0.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
2-(2-fluorophenoxy)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733468
2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61329457
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119807077
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid (CID 79476518) is 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid is CN(CCc1cccs1)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is MSWMQVBXJWPIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-12(5-4-9-3-2-6-17-9)10(13)7-16-8-11(14)15/h2-3,6H,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 79476518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).