2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid

C14H15NO2S — CID 175285641

IUPAC2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid
SMILESCC(c1ccccc1)c1cc(CC(=O)O)c(N)s1
InChIInChI=1S/C14H15NO2S/c1-9(10-5-3-2-4-6-10)12-7-11(8-13(16)17)14(15)18-12/h2-7,9H,8,15H2,1H3,(H,16,17)
InChIKeyGGQMRLNMUSCCNX-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.11
Rot. Bonds4

About 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid

2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid (PubChem CID 175285641) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid
PubChem CID175285641
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid
SMILESCC(c1ccccc1)c1cc(CC(=O)O)c(N)s1
InChIInChI=1S/C14H15NO2S/c1-9(10-5-3-2-4-6-10)12-7-11(8-13(16)17)14(15)18-12/h2-7,9H,8,15H2,1H3,(H,16,17)
InChIKeyGGQMRLNMUSCCNX-UHFFFAOYSA-N
XLogP3.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid (CID 175285641) is 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid is CC(c1ccccc1)c1cc(CC(=O)O)c(N)s1.
What is the InChIKey of 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid?
The InChIKey is GGQMRLNMUSCCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(10-5-3-2-4-6-10)12-7-11(8-13(16)17)14(15)18-12/h2-7,9H,8,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid?
2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid has a molecular weight of 261.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 175285641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).