tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)

C33H33CrN6O6 — CID 172797922

IUPACtris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
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-].[Cr+3]
InChIInChI=1S/3C11H12N2O2.Cr/c3*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h3*1-4,6,9,13H,5,12H2,(H,14,15);/q;;;+3/p-3/t3*9-;/m000./s1
InChIKeyQLQDNAKKMXHOQO-SRSGEWSGSA-K
MW661.66 g/mol
LogP-0.64
Rot. Bonds9

About tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)

tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+) (PubChem CID 172797922) has the molecular formula C33H33CrN6O6 and a molecular weight of 661.66 g/mol. Its IUPAC name is tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+).

Molecular Properties

Compound Nametris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
PubChem CID172797922
Molecular FormulaC33H33CrN6O6
Molecular Weight661.66 g/mol
Exact Mass661.19
IUPAC Nametris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
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-].[Cr+3]
InChIInChI=1S/3C11H12N2O2.Cr/c3*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h3*1-4,6,9,13H,5,12H2,(H,14,15);/q;;;+3/p-3/t3*9-;/m000./s1
InChIKeyQLQDNAKKMXHOQO-SRSGEWSGSA-K
XLogP-0.64
TPSA245.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.66
LogP ≤ 5-0.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

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(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
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CID 175991895
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2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
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(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
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sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
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2-amino-3-(1H-indol-3-yl)propanoyl isocyanate
CID 175429154
2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid
CID 67632741

Frequently Asked Questions

What is the IUPAC name of tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)?
The IUPAC name of tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+) (CID 172797922) is tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+).
What is the SMILES notation for tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)?
The canonical SMILES for tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+) 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-].[Cr+3].
What is the InChIKey of tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)?
The InChIKey is QLQDNAKKMXHOQO-SRSGEWSGSA-K. The full InChI is InChI=1S/3C11H12N2O2.Cr/c3*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h3*1-4,6,9,13H,5,12H2,(H,14,15);/q;;;+3/p-3/t3*9-;/m000./s1.
What are the key properties of tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)?
tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+) has a molecular weight of 661.66 g/mol, XLogP of -0.64, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+) is sourced from PubChem (CID 172797922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).