2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid

C10H13NO4S — CID 65065392

IUPAC2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
SMILESCC(c1cccs1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H13NO4S/c1-7(8-3-2-4-16-8)11(5-9(12)13)6-10(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyBGQIQXNBEWNSRG-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.28
Rot. Bonds6

About 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid

2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid (PubChem CID 65065392) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
PubChem CID65065392
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
SMILESCC(c1cccs1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H13NO4S/c1-7(8-3-2-4-16-8)11(5-9(12)13)6-10(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyBGQIQXNBEWNSRG-UHFFFAOYSA-N
XLogP1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65056388
2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65067405
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
4-[benzyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 119135028
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
CID 79284969
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
4,4,4-trifluoro-3-[methyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 63068842
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid (CID 65065392) is 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid is CC(c1cccs1)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid?
The InChIKey is BGQIQXNBEWNSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7(8-3-2-4-16-8)11(5-9(12)13)6-10(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid?
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 65065392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).