2-[(2-thiophen-2-ylacetyl)amino]acetic acid

C8H9NO3S — CID 16785600

IUPAC2-[(2-thiophen-2-ylacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cccs1
InChIInChI=1S/C8H9NO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,10)(H,11,12)
InChIKeyILQKLXNIBYSXKJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.49
Rot. Bonds4

About 2-[(2-thiophen-2-ylacetyl)amino]acetic acid

2-[(2-thiophen-2-ylacetyl)amino]acetic acid (PubChem CID 16785600) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(2-thiophen-2-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-thiophen-2-ylacetyl)amino]acetic acid
PubChem CID16785600
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-[(2-thiophen-2-ylacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cccs1
InChIInChI=1S/C8H9NO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,10)(H,11,12)
InChIKeyILQKLXNIBYSXKJ-UHFFFAOYSA-N
XLogP0.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Stepronin
CID 54120
N-2-Thiophen-2-Yl-Acetamide Boronic Acid
CID 2671
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
Stepronin sodium
CID 23691748
2-[(5-Methylthiophen-2-yl)formamido]acetic acid
CID 2392412
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-2-yl-ethyl)-amide
CID 10949701
2-[2-[(2-Thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid
CID 122180360
2-[(2S)-2-[(2-thiophen-2-ylacetyl)amino]propanoyl]sulfanylacetic acid
CID 122180361
2-[(2S)-3-methyl-2-[(2-thiophen-2-ylacetyl)amino]butanoyl]sulfanylacetic acid
CID 122180362
2-[(2S)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanoyl]sulfanylacetic acid
CID 122180363
2-[(2S)-4-methylsulfanyl-2-[(2-thiophen-2-ylacetyl)amino]butanoyl]sulfanylacetic acid
CID 122180364
2-[(2S)-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanoyl]sulfanylacetic acid
CID 122180365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-thiophen-2-ylacetyl)amino]acetic acid (CID 16785600) is 2-[(2-thiophen-2-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-thiophen-2-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-thiophen-2-ylacetyl)amino]acetic acid is O=C(O)CNC(=O)Cc1cccs1.
What is the InChIKey of 2-[(2-thiophen-2-ylacetyl)amino]acetic acid?
The InChIKey is ILQKLXNIBYSXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,10)(H,11,12).
What are the key properties of 2-[(2-thiophen-2-ylacetyl)amino]acetic acid?
2-[(2-thiophen-2-ylacetyl)amino]acetic acid has a molecular weight of 199.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-ylacetyl)amino]acetic acid is sourced from PubChem (CID 16785600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).