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

C18H18N2O4Zn — CID 175507605

IUPAC2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)O.O=Cc1ccccc1O.[Zn]
InChIInChI=1S/C11H12N2O2.C7H6O2.Zn/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;8-5-6-3-1-2-4-7(6)9;/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,9H;
InChIKeyBAAGNSZKNJYSIG-UHFFFAOYSA-N
MW391.74 g/mol
LogP2.32
Rot. Bonds4

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

2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc (PubChem CID 175507605) has the molecular formula C18H18N2O4Zn and a molecular weight of 391.74 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc
PubChem CID175507605
Molecular FormulaC18H18N2O4Zn
Molecular Weight391.74 g/mol
Exact Mass390.06
IUPAC Name2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)O.O=Cc1ccccc1O.[Zn]
InChIInChI=1S/C11H12N2O2.C7H6O2.Zn/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;8-5-6-3-1-2-4-7(6)9;/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,9H;
InChIKeyBAAGNSZKNJYSIG-UHFFFAOYSA-N
XLogP2.32
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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;2-hydroxybenzaldehyde;zinc?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc (CID 175507605) is 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc is NC(Cc1c[nH]c2ccccc12)C(=O)O.O=Cc1ccccc1O.[Zn].
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc?
The InChIKey is BAAGNSZKNJYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C7H6O2.Zn/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;8-5-6-3-1-2-4-7(6)9;/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,9H;.
What are the key properties of 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc?
2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc has a molecular weight of 391.74 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)propanoic acid;2-hydroxybenzaldehyde;zinc is sourced from PubChem (CID 175507605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).