2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid

C9H11NO3S — CID 39243240

IUPAC2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)Cc1cccs1
InChIInChI=1S/C9H11NO3S/c1-7(11)10(6-9(12)13)5-8-3-2-4-14-8/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyABNXSYCCQXYCOM-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.18
Rot. Bonds4

About 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid

2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid (PubChem CID 39243240) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid
PubChem CID39243240
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)Cc1cccs1
InChIInChI=1S/C9H11NO3S/c1-7(11)10(6-9(12)13)5-8-3-2-4-14-8/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyABNXSYCCQXYCOM-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-Acetylsulfanyl-2-methyl-propionyl)-thiophen-2-ylmethyl-amino]-acetic acid
CID 44372990
[(3-Mercapto-2-methyl-propionyl)-thiophen-2-ylmethyl-amino]-acetic acid
CID 44373004
2-(Methyl-thiophen-2-ylmethyl-thiocarbamoylsulfanyl)-propionic acid
CID 3840043
2-(N-methyl-1-(thiophen-2-yl)formamido)acetic acid
CID 6422196
(4R)-3-[(2S)-2-methyl-3-sulfanylpropanoyl]-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 12915818
N-[1-(hydroxymethyl)propyl]-2-(methylthio)-N-(2-thienylmethyl)acetamide
CID 46997059
3-Acetyl-2-thiophen-2-yl-thiazolidine-4-carboxylic acid
CID 2731624
N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine
CID 61008719
N1-methyl-N2-(thiophen-2-ylmethyl)oxalamide
CID 40805400
N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 60698565
Methyl (thiophen-2-ylmethyl)glycinate
CID 11332886
Thenylalanine
CID 51690905

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid (CID 39243240) is 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid is CC(=O)N(CC(=O)O)Cc1cccs1.
What is the InChIKey of 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid?
The InChIKey is ABNXSYCCQXYCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(11)10(6-9(12)13)5-8-3-2-4-14-8/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid?
2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid has a molecular weight of 213.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(thiophen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 39243240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).