(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid

C11H15NO4S — CID 104876158

IUPAC(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
SMILESC[C@H](OCC(=O)N(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-8(11(14)15)16-7-10(13)12(2)6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyPSFQANOEOVYWPR-QMMMGPOBSA-N
MW257.31 g/mol
LogP1.20
Rot. Bonds6

About (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid

(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid (PubChem CID 104876158) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
PubChem CID104876158
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
SMILESC[C@H](OCC(=O)N(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-8(11(14)15)16-7-10(13)12(2)6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyPSFQANOEOVYWPR-QMMMGPOBSA-N
XLogP1.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684363
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 46788851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid (CID 104876158) is (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid is C[C@H](OCC(=O)N(C)Cc1cccs1)C(=O)O.
What is the InChIKey of (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid?
The InChIKey is PSFQANOEOVYWPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8(11(14)15)16-7-10(13)12(2)6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid?
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104876158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).