2-amino-3-(1H-indol-3-yl)propanoic acid;gold

C11H12AuN2O2 — CID 175305655

IUPAC2-amino-3-(1H-indol-3-yl)propanoic acid;gold
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)O.[Au]
InChIInChI=1S/C11H12N2O2.Au/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h1-4,6,9,13H,5,12H2,(H,14,15);
InChIKeyUHIVLYJAJJORJF-UHFFFAOYSA-N
MW401.20 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-3-(1H-indol-3-yl)propanoic acid;gold

2-amino-3-(1H-indol-3-yl)propanoic acid;gold (PubChem CID 175305655) has the molecular formula C11H12AuN2O2 and a molecular weight of 401.20 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)propanoic acid;gold.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)propanoic acid;gold
PubChem CID175305655
Molecular FormulaC11H12AuN2O2
Molecular Weight401.20 g/mol
Exact Mass401.06
IUPAC Name2-amino-3-(1H-indol-3-yl)propanoic acid;gold
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)O.[Au]
InChIInChI=1S/C11H12N2O2.Au/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h1-4,6,9,13H,5,12H2,(H,14,15);
InChIKeyUHIVLYJAJJORJF-UHFFFAOYSA-N
XLogP1.12
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;gold?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;gold (CID 175305655) is 2-amino-3-(1H-indol-3-yl)propanoic acid;gold.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)propanoic acid;gold?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)propanoic acid;gold is NC(Cc1c[nH]c2ccccc12)C(=O)O.[Au].
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)propanoic acid;gold?
The InChIKey is UHIVLYJAJJORJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.Au/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h1-4,6,9,13H,5,12H2,(H,14,15);.
What are the key properties of 2-amino-3-(1H-indol-3-yl)propanoic acid;gold?
2-amino-3-(1H-indol-3-yl)propanoic acid;gold has a molecular weight of 401.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)propanoic acid;gold is sourced from PubChem (CID 175305655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).