sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate

C9H10NNaO4 — CID 170902484

IUPACsodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1O)C(=O)[O-].[Na+]
InChIInChI=1S/C9H11NO4.Na/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12;/h1-2,4,7,11-12H,3,10H2,(H,13,14);/q;+1/p-1/t7-;/m0./s1
InChIKeySLYOBXYHAAJPNO-FJXQXJEOSA-M
MW219.17 g/mol
LogP-4.28
Rot. Bonds3

About sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate

sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate (PubChem CID 170902484) has the molecular formula C9H10NNaO4 and a molecular weight of 219.17 g/mol. Its IUPAC name is sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate.

Molecular Properties

Compound Namesodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate
PubChem CID170902484
Molecular FormulaC9H10NNaO4
Molecular Weight219.17 g/mol
Exact Mass219.05
IUPAC Namesodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1O)C(=O)[O-].[Na+]
InChIInChI=1S/C9H11NO4.Na/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12;/h1-2,4,7,11-12H,3,10H2,(H,13,14);/q;+1/p-1/t7-;/m0./s1
InChIKeySLYOBXYHAAJPNO-FJXQXJEOSA-M
XLogP-4.28
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 5-4.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
CID 173365455
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
sodium (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate
CID 69045050
CID 172851102
CID 172851102
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 71744426
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
2-[carboxylatomethyl-[(2,4-dihydroxyphenyl)methyl]azaniumyl]acetate
CID 4133394
4-ethylbenzene-1,3-diol
CID 17927

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate?
The IUPAC name of sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate (CID 170902484) is sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate.
What is the SMILES notation for sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate?
The canonical SMILES for sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate is N[C@@H](Cc1ccc(O)cc1O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate?
The InChIKey is SLYOBXYHAAJPNO-FJXQXJEOSA-M. The full InChI is InChI=1S/C9H11NO4.Na/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12;/h1-2,4,7,11-12H,3,10H2,(H,13,14);/q;+1/p-1/t7-;/m0./s1.
What are the key properties of sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate?
sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate has a molecular weight of 219.17 g/mol, XLogP of -4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate is sourced from PubChem (CID 170902484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).