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

C11H12MnN2O2 — CID 159424306

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.[Mn]
InChIInChI=1S/C11H12N2O2.Mn/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);/t9-;/m0./s1
InChIKeyLQDQOXRZUDFCOE-FVGYRXGTSA-N
MW259.17 g/mol
LogP1.12
Rot. Bonds3

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

(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese (PubChem CID 159424306) has the molecular formula C11H12MnN2O2 and a molecular weight of 259.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
PubChem CID159424306
Molecular FormulaC11H12MnN2O2
Molecular Weight259.17 g/mol
Exact Mass259.03
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.[Mn]
InChIInChI=1S/C11H12N2O2.Mn/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);/t9-;/m0./s1
InChIKeyLQDQOXRZUDFCOE-FVGYRXGTSA-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 ≤ 500259.17
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 (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese (CID 159424306) is (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.[Mn].
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese?
The InChIKey is LQDQOXRZUDFCOE-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H12N2O2.Mn/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);/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese?
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese has a molecular weight of 259.17 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 (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese is sourced from PubChem (CID 159424306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).