lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride

C10H12LiNO4 — CID 173066135

IUPAClithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
SMILESCC(=O)c1ccc(OCC(=O)O)cc1N.[H-].[Li+]
InChIInChI=1S/C10H11NO4.Li.H/c1-6(12)8-3-2-7(4-9(8)11)15-5-10(13)14;;/h2-4H,5,11H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyJZVBBVFVMOWTEN-UHFFFAOYSA-N
MW217.15 g/mol
LogP-1.95
Rot. Bonds4

About lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride

lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride (PubChem CID 173066135) has the molecular formula C10H12LiNO4 and a molecular weight of 217.15 g/mol. Its IUPAC name is lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride.

Molecular Properties

Compound Namelithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
PubChem CID173066135
Molecular FormulaC10H12LiNO4
Molecular Weight217.15 g/mol
Exact Mass217.09
IUPAC Namelithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
SMILESCC(=O)c1ccc(OCC(=O)O)cc1N.[H-].[Li+]
InChIInChI=1S/C10H11NO4.Li.H/c1-6(12)8-3-2-7(4-9(8)11)15-5-10(13)14;;/h2-4H,5,11H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyJZVBBVFVMOWTEN-UHFFFAOYSA-N
XLogP-1.95
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
CID 104529371
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide
CID 89083044
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
CID 91128464
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510

Frequently Asked Questions

What is the IUPAC name of lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride?
The IUPAC name of lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride (CID 173066135) is lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride.
What is the SMILES notation for lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride?
The canonical SMILES for lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride is CC(=O)c1ccc(OCC(=O)O)cc1N.[H-].[Li+].
What is the InChIKey of lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride?
The InChIKey is JZVBBVFVMOWTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4.Li.H/c1-6(12)8-3-2-7(4-9(8)11)15-5-10(13)14;;/h2-4H,5,11H2,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride?
lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride has a molecular weight of 217.15 g/mol, XLogP of -1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride is sourced from PubChem (CID 173066135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).