2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid

C15H16ClNO2S — CID 14052910

IUPAC2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c16-14-6-2-1-4-12(14)10-17(11-15(18)19)8-7-13-5-3-9-20-13/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyFUEVGCLMCDQOQZ-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.53
Rot. Bonds7

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

2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid (PubChem CID 14052910) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid
PubChem CID14052910
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c16-14-6-2-1-4-12(14)10-17(11-15(18)19)8-7-13-5-3-9-20-13/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyFUEVGCLMCDQOQZ-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid (CID 14052910) is 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid is O=C(O)CN(CCc1cccs1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid?
The InChIKey is FUEVGCLMCDQOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-14-6-2-1-4-12(14)10-17(11-15(18)19)8-7-13-5-3-9-20-13/h1-6,9H,7-8,10-11H2,(H,18,19).
What are the key properties of 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid?
2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid has a molecular weight of 309.82 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 14052910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).