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

C6H12GaN3O2 — CID 173470688

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)O.[GaH3]
InChIInChI=1S/C6H9N3O2.Ga.3H/c7-5(6(10)11)1-4-2-8-3-9-4;;;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);;;;/t5-;;;;/m0..../s1
InChIKeyXFLOXKJAETZLSB-OUTKXMMCSA-N
MW227.90 g/mol
LogP-1.82
Rot. Bonds3

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

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane (PubChem CID 173470688) has the molecular formula C6H12GaN3O2 and a molecular weight of 227.90 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
PubChem CID173470688
Molecular FormulaC6H12GaN3O2
Molecular Weight227.90 g/mol
Exact Mass227.02
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)O.[GaH3]
InChIInChI=1S/C6H9N3O2.Ga.3H/c7-5(6(10)11)1-4-2-8-3-9-4;;;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);;;;/t5-;;;;/m0..../s1
InChIKeyXFLOXKJAETZLSB-OUTKXMMCSA-N
XLogP-1.82
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.90
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
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2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
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CID 74764184
(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane (CID 173470688) is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane is N[C@@H](Cc1cnc[nH]1)C(=O)O.[GaH3].
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane?
The InChIKey is XFLOXKJAETZLSB-OUTKXMMCSA-N. The full InChI is InChI=1S/C6H9N3O2.Ga.3H/c7-5(6(10)11)1-4-2-8-3-9-4;;;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);;;;/t5-;;;;/m0..../s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane?
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane has a molecular weight of 227.90 g/mol, XLogP of -1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane is sourced from PubChem (CID 173470688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).