2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid

C10H13NO4S — CID 61328793

IUPAC2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1ccsc1)C(=O)COCC(=O)O
InChIInChI=1S/C10H13NO4S/c1-11(4-8-2-3-16-7-8)9(12)5-15-6-10(13)14/h2-3,7H,4-6H2,1H3,(H,13,14)
InChIKeySJQYFWWVPNBUBU-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.81
Rot. Bonds6

About 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61328793) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61328793
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1ccsc1)C(=O)COCC(=O)O
InChIInChI=1S/C10H13NO4S/c1-11(4-8-2-3-16-7-8)9(12)5-15-6-10(13)14/h2-3,7H,4-6H2,1H3,(H,13,14)
InChIKeySJQYFWWVPNBUBU-UHFFFAOYSA-N
XLogP0.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,2-diphenylacetate
CID 9229252
2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 54941021
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
2,2-diethyl-4-[methyl(thiophen-3-ylmethyl)amino]-4-oxobutanoic acid
CID 43527995
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
3-[methyl(thiophen-3-ylmethyl)amino]prop-2-enoic acid
CID 79889953
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid (CID 61328793) is 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid is CN(Cc1ccsc1)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is SJQYFWWVPNBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11(4-8-2-3-16-7-8)9(12)5-15-6-10(13)14/h2-3,7H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).