sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride

C8H9FNNaO2 — CID 173282392

IUPACsodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
SMILESNC(C(=O)O)c1ccccc1F.[H-].[Na+]
InChIInChI=1S/C8H8FNO2.Na.H/c9-6-4-2-1-3-5(6)7(10)8(11)12;;/h1-4,7H,10H2,(H,11,12);;/q;+1;-1
InChIKeyWHZSYIDELNBDLA-UHFFFAOYSA-N
MW193.15 g/mol
LogP-1.97
Rot. Bonds2

About sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride

sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride (PubChem CID 173282392) has the molecular formula C8H9FNNaO2 and a molecular weight of 193.15 g/mol. Its IUPAC name is sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
PubChem CID173282392
Molecular FormulaC8H9FNNaO2
Molecular Weight193.15 g/mol
Exact Mass193.05
IUPAC Namesodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
SMILESNC(C(=O)O)c1ccccc1F.[H-].[Na+]
InChIInChI=1S/C8H8FNO2.Na.H/c9-6-4-2-1-3-5(6)7(10)8(11)12;;/h1-4,7H,10H2,(H,11,12);;/q;+1;-1
InChIKeyWHZSYIDELNBDLA-UHFFFAOYSA-N
XLogP-1.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diamino-3-(2-fluorophenyl)propanoic acid
CID 116942285
(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
CID 130742230
2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
CID 117449300
2-amino-2-(4-amino-2-fluorophenyl)acetic acid
CID 77128000
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride?
The IUPAC name of sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride (CID 173282392) is sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride.
What is the SMILES notation for sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride?
The canonical SMILES for sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride is NC(C(=O)O)c1ccccc1F.[H-].[Na+].
What is the InChIKey of sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride?
The InChIKey is WHZSYIDELNBDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2.Na.H/c9-6-4-2-1-3-5(6)7(10)8(11)12;;/h1-4,7H,10H2,(H,11,12);;/q;+1;-1.
What are the key properties of sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride?
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride has a molecular weight of 193.15 g/mol, XLogP of -1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride is sourced from PubChem (CID 173282392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).