2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid

C14H16N2O3 — CID 18695656

IUPAC2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid
SMILESCOc1ccccc1-c1cc(C(C)C(=O)O)c(N)[nH]1
InChIInChI=1S/C14H16N2O3/c1-8(14(17)18)10-7-11(16-13(10)15)9-5-3-4-6-12(9)19-2/h3-8,16H,15H2,1-2H3,(H,17,18)
InChIKeyWYMDLBLJAULXCE-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid

2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid (PubChem CID 18695656) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid
PubChem CID18695656
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid
SMILESCOc1ccccc1-c1cc(C(C)C(=O)O)c(N)[nH]1
InChIInChI=1S/C14H16N2O3/c1-8(14(17)18)10-7-11(16-13(10)15)9-5-3-4-6-12(9)19-2/h3-8,16H,15H2,1-2H3,(H,17,18)
InChIKeyWYMDLBLJAULXCE-UHFFFAOYSA-N
XLogP2.46
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid?
The IUPAC name of 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid (CID 18695656) is 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid.
What is the SMILES notation for 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid?
The canonical SMILES for 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid is COc1ccccc1-c1cc(C(C)C(=O)O)c(N)[nH]1.
What is the InChIKey of 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid?
The InChIKey is WYMDLBLJAULXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(14(17)18)10-7-11(16-13(10)15)9-5-3-4-6-12(9)19-2/h3-8,16H,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid?
2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid is sourced from PubChem (CID 18695656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).