bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)

C12H16MnN6O4 — CID 3047336

IUPACbis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
SMILESNC(Cc1cnc[nH]1)C(=O)[O-].NC(Cc1cnc[nH]1)C(=O)[O-].[Mn+2]
InChIInChI=1S/2C6H9N3O2.Mn/c2*7-5(6(10)11)1-4-2-8-3-9-4;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;+2/p-2
InChIKeySYAGMRROGWOKPH-UHFFFAOYSA-L
MW363.24 g/mol
LogP-3.94
Rot. Bonds6

About bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)

bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+) (PubChem CID 3047336) has the molecular formula C12H16MnN6O4 and a molecular weight of 363.24 g/mol. Its IUPAC name is bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+).

Molecular Properties

Compound Namebis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
PubChem CID3047336
Molecular FormulaC12H16MnN6O4
Molecular Weight363.24 g/mol
Exact Mass363.06
IUPAC Namebis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
SMILESNC(Cc1cnc[nH]1)C(=O)[O-].NC(Cc1cnc[nH]1)C(=O)[O-].[Mn+2]
InChIInChI=1S/2C6H9N3O2.Mn/c2*7-5(6(10)11)1-4-2-8-3-9-4;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;+2/p-2
InChIKeySYAGMRROGWOKPH-UHFFFAOYSA-L
XLogP-3.94
TPSA189.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 5-3.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
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(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
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(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
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2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
CID 67532812

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)?
The IUPAC name of bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+) (CID 3047336) is bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+).
What is the SMILES notation for bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)?
The canonical SMILES for bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+) is NC(Cc1cnc[nH]1)C(=O)[O-].NC(Cc1cnc[nH]1)C(=O)[O-].[Mn+2].
What is the InChIKey of bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)?
The InChIKey is SYAGMRROGWOKPH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H9N3O2.Mn/c2*7-5(6(10)11)1-4-2-8-3-9-4;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;+2/p-2.
What are the key properties of bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)?
bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+) has a molecular weight of 363.24 g/mol, XLogP of -3.94, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+) is sourced from PubChem (CID 3047336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).