tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)

C44H44GeN8O8 — CID 91866780

IUPACtetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].[Ge+4]
InChIInChI=1S/4C11H12N2O2.Ge/c4*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h4*1-4,6,9,13H,5,12H2,(H,14,15);/q;;;;+4/p-4/t4*9-;/m0000./s1
InChIKeyCNVLQRRRIWEUDF-IRUXHNJHSA-J
MW885.49 g/mol
LogP-1.23
Rot. Bonds12

About tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)

tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+) (PubChem CID 91866780) has the molecular formula C44H44GeN8O8 and a molecular weight of 885.49 g/mol. Its IUPAC name is tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+).

Molecular Properties

Compound Nametetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)
PubChem CID91866780
Molecular FormulaC44H44GeN8O8
Molecular Weight885.49 g/mol
Exact Mass886.25
IUPAC Nametetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].[Ge+4]
InChIInChI=1S/4C11H12N2O2.Ge/c4*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h4*1-4,6,9,13H,5,12H2,(H,14,15);/q;;;;+4/p-4/t4*9-;/m0000./s1
InChIKeyCNVLQRRRIWEUDF-IRUXHNJHSA-J
XLogP-1.23
TPSA327.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.49
LogP ≤ 5-1.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)?
The IUPAC name of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+) (CID 91866780) is tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+).
What is the SMILES notation for tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)?
The canonical SMILES for tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+) is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].[Ge+4].
What is the InChIKey of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)?
The InChIKey is CNVLQRRRIWEUDF-IRUXHNJHSA-J. The full InChI is InChI=1S/4C11H12N2O2.Ge/c4*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h4*1-4,6,9,13H,5,12H2,(H,14,15);/q;;;;+4/p-4/t4*9-;/m0000./s1.
What are the key properties of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+)?
tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+) has a molecular weight of 885.49 g/mol, XLogP of -1.23, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoate);germanium(4+) is sourced from PubChem (CID 91866780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).