lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride

C13H16LiN3O2 — CID 173053721

IUPAClithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride
SMILESN[C@@H](CCc1ccccc1-c1cnc[nH]1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C13H15N3O2.Li.H/c14-11(13(17)18)6-5-9-3-1-2-4-10(9)12-7-15-8-16-12;;/h1-4,7-8,11H,5-6,14H2,(H,15,16)(H,17,18);;/q;+1;-1/t11-;;/m0../s1
InChIKeyAFIKEXZJRNFQLZ-IDMXKUIJSA-N
MW253.23 g/mol
LogP-1.46
Rot. Bonds5

About lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride

lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride (PubChem CID 173053721) has the molecular formula C13H16LiN3O2 and a molecular weight of 253.23 g/mol. Its IUPAC name is lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride.

Molecular Properties

Compound Namelithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride
PubChem CID173053721
Molecular FormulaC13H16LiN3O2
Molecular Weight253.23 g/mol
Exact Mass253.14
IUPAC Namelithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride
SMILESN[C@@H](CCc1ccccc1-c1cnc[nH]1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C13H15N3O2.Li.H/c14-11(13(17)18)6-5-9-3-1-2-4-10(9)12-7-15-8-16-12;;/h1-4,7-8,11H,5-6,14H2,(H,15,16)(H,17,18);;/q;+1;-1/t11-;;/m0../s1
InChIKeyAFIKEXZJRNFQLZ-IDMXKUIJSA-N
XLogP-1.46
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

lithium (2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoate
CID 86673019
2-[2-(1H-imidazol-5-yl)phenyl]-N-iodo-N-methylethanamine
CID 147026086
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
CID 115029533
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
CID 23509804
bis[2-(1H-imidazol-5-yl)phenyl]methanone
CID 118549351
2-(1H-imidazol-5-yl)aniline
CID 14698017
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 20673262

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride?
The IUPAC name of lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride (CID 173053721) is lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride.
What is the SMILES notation for lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride?
The canonical SMILES for lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride is N[C@@H](CCc1ccccc1-c1cnc[nH]1)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride?
The InChIKey is AFIKEXZJRNFQLZ-IDMXKUIJSA-N. The full InChI is InChI=1S/C13H15N3O2.Li.H/c14-11(13(17)18)6-5-9-3-1-2-4-10(9)12-7-15-8-16-12;;/h1-4,7-8,11H,5-6,14H2,(H,15,16)(H,17,18);;/q;+1;-1/t11-;;/m0../s1.
What are the key properties of lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride?
lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride has a molecular weight of 253.23 g/mol, XLogP of -1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride is sourced from PubChem (CID 173053721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).