sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide

C10H14NNaO3 — CID 160538956

IUPACsodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
SMILESCc1ccc(C[C@H](N)C(=O)O)cc1.[Na+].[OH-]
InChIInChI=1S/C10H13NO2.Na.H2O/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;;/h2-5,9H,6,11H2,1H3,(H,12,13);;1H2/q;+1;/p-1/t9-;;/m0../s1
InChIKeyQWNGLHGQPYFMFN-WWPIYYJJSA-M
MW219.22 g/mol
LogP-2.22
Rot. Bonds3

About sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide

sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide (PubChem CID 160538956) has the molecular formula C10H14NNaO3 and a molecular weight of 219.22 g/mol. Its IUPAC name is sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide.

Molecular Properties

Compound Namesodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
PubChem CID160538956
Molecular FormulaC10H14NNaO3
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Namesodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
SMILESCc1ccc(C[C@H](N)C(=O)O)cc1.[Na+].[OH-]
InChIInChI=1S/C10H13NO2.Na.H2O/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;;/h2-5,9H,6,11H2,1H3,(H,12,13);;1H2/q;+1;/p-1/t9-;;/m0../s1
InChIKeyQWNGLHGQPYFMFN-WWPIYYJJSA-M
XLogP-2.22
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-2.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-[4-(2-amino-2-oxoethyl)phenyl]propanoic acid
CID 169025021
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide?
The IUPAC name of sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide (CID 160538956) is sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide.
What is the SMILES notation for sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide?
The canonical SMILES for sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide is Cc1ccc(C[C@H](N)C(=O)O)cc1.[Na+].[OH-].
What is the InChIKey of sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide?
The InChIKey is QWNGLHGQPYFMFN-WWPIYYJJSA-M. The full InChI is InChI=1S/C10H13NO2.Na.H2O/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;;/h2-5,9H,6,11H2,1H3,(H,12,13);;1H2/q;+1;/p-1/t9-;;/m0../s1.
What are the key properties of sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide?
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide has a molecular weight of 219.22 g/mol, XLogP of -2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide is sourced from PubChem (CID 160538956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).