2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium

C6H9N3O2Ti — CID 88748580

IUPAC2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
SMILESNC(Cc1cnc[nH]1)C(=O)O.[Ti]
InChIInChI=1S/C6H9N3O2.Ti/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);
InChIKeyFOEUPDLEZIIBRZ-UHFFFAOYSA-N
MW203.02 g/mol
LogP-0.64
Rot. Bonds3

About 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium

2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium (PubChem CID 88748580) has the molecular formula C6H9N3O2Ti and a molecular weight of 203.02 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
PubChem CID88748580
Molecular FormulaC6H9N3O2Ti
Molecular Weight203.02 g/mol
Exact Mass203.02
IUPAC Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
SMILESNC(Cc1cnc[nH]1)C(=O)O.[Ti]
InChIInChI=1S/C6H9N3O2.Ti/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);
InChIKeyFOEUPDLEZIIBRZ-UHFFFAOYSA-N
XLogP-0.64
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.02
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium (CID 88748580) is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium is NC(Cc1cnc[nH]1)C(=O)O.[Ti].
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium?
The InChIKey is FOEUPDLEZIIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.Ti/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);.
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium?
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium has a molecular weight of 203.02 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium is sourced from PubChem (CID 88748580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).