2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid

C10H13NO4S — CID 63775158

IUPAC2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)CC(=O)O
InChIInChI=1S/C10H13NO4S/c12-9(13)6-11(7-10(14)15)4-3-8-2-1-5-16-8/h1-2,5H,3-4,6-7H2,(H,12,13)(H,14,15)
InChIKeyRUZZWWOSNGOOGQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.76
Rot. Bonds7

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

2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid (PubChem CID 63775158) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
PubChem CID63775158
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)CC(=O)O
InChIInChI=1S/C10H13NO4S/c12-9(13)6-11(7-10(14)15)4-3-8-2-1-5-16-8/h1-2,5H,3-4,6-7H2,(H,12,13)(H,14,15)
InChIKeyRUZZWWOSNGOOGQ-UHFFFAOYSA-N
XLogP0.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209
2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63775345
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832
2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
CID 59053390
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
CID 63775676

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid (CID 63775158) is 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid is O=C(O)CN(CCc1cccs1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid?
The InChIKey is RUZZWWOSNGOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-9(13)6-11(7-10(14)15)4-3-8-2-1-5-16-8/h1-2,5H,3-4,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid?
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 63775158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).