sodium;hydride;2-hydroxy-3-phenylpropanoic acid

C9H11NaO3 — CID 173185606

IUPACsodium;hydride;2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H10O3.Na.H/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8,10H,6H2,(H,11,12);;/q;+1;-1
InChIKeyZFUHHBPNQUILBA-UHFFFAOYSA-N
MW190.17 g/mol
LogP-2.21
Rot. Bonds3

About sodium;hydride;2-hydroxy-3-phenylpropanoic acid

sodium;hydride;2-hydroxy-3-phenylpropanoic acid (PubChem CID 173185606) has the molecular formula C9H11NaO3 and a molecular weight of 190.17 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-3-phenylpropanoic acid
PubChem CID173185606
Molecular FormulaC9H11NaO3
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Namesodium;hydride;2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(O)Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H10O3.Na.H/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8,10H,6H2,(H,11,12);;/q;+1;-1
InChIKeyZFUHHBPNQUILBA-UHFFFAOYSA-N
XLogP-2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143
2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
CID 69118596
(2S)-2-hydroxy-3-phenylpropanethioic S-acid
CID 21114760
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CID 121320325
2-hydroxy-4-methyl-1-phenylpentan-3-one;2-methylpropanoic acid
CID 174968865
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215108
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of sodium;hydride;2-hydroxy-3-phenylpropanoic acid (CID 173185606) is sodium;hydride;2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for sodium;hydride;2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for sodium;hydride;2-hydroxy-3-phenylpropanoic acid is O=C(O)C(O)Cc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-3-phenylpropanoic acid?
The InChIKey is ZFUHHBPNQUILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.Na.H/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8,10H,6H2,(H,11,12);;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxy-3-phenylpropanoic acid?
sodium;hydride;2-hydroxy-3-phenylpropanoic acid has a molecular weight of 190.17 g/mol, XLogP of -2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 173185606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).