sodium 2-amino-4-hydroxy-4-methylpentanoate

C6H12NNaO3 — CID 75481657

IUPACsodium 2-amino-4-hydroxy-4-methylpentanoate
SMILESCC(C)(O)CC(N)C(=O)[O-].[Na+]
InChIInChI=1S/C6H13NO3.Na/c1-6(2,10)3-4(7)5(8)9;/h4,10H,3,7H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyBTYNIXLFWOXXQU-UHFFFAOYSA-M
MW169.16 g/mol
LogP-4.77
Rot. Bonds3

About sodium 2-amino-4-hydroxy-4-methylpentanoate

sodium 2-amino-4-hydroxy-4-methylpentanoate (PubChem CID 75481657) has the molecular formula C6H12NNaO3 and a molecular weight of 169.16 g/mol. Its IUPAC name is sodium 2-amino-4-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Namesodium 2-amino-4-hydroxy-4-methylpentanoate
PubChem CID75481657
Molecular FormulaC6H12NNaO3
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Namesodium 2-amino-4-hydroxy-4-methylpentanoate
SMILESCC(C)(O)CC(N)C(=O)[O-].[Na+]
InChIInChI=1S/C6H13NO3.Na/c1-6(2,10)3-4(7)5(8)9;/h4,10H,3,7H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyBTYNIXLFWOXXQU-UHFFFAOYSA-M
XLogP-4.77
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-4.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4,4-dimethylpentanoate
CID 149433644
sodium 2-amino-3-hydroxypropanoate
CID 23676048
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
disodium;2-aminobutanedioate
CID 172873588
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182
disodium;acetic acid;(2S)-2-aminobutanedioate
CID 163675970
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate
CID 141380072
2-amino-4-methylpentanoate
CID 157437742
1-amino-3-methylbutane-1,3-diol;hydrochloride
CID 140998163
2-aminobutanedioate
CID 4519554

Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-4-hydroxy-4-methylpentanoate?
The IUPAC name of sodium 2-amino-4-hydroxy-4-methylpentanoate (CID 75481657) is sodium 2-amino-4-hydroxy-4-methylpentanoate.
What is the SMILES notation for sodium 2-amino-4-hydroxy-4-methylpentanoate?
The canonical SMILES for sodium 2-amino-4-hydroxy-4-methylpentanoate is CC(C)(O)CC(N)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-amino-4-hydroxy-4-methylpentanoate?
The InChIKey is BTYNIXLFWOXXQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3.Na/c1-6(2,10)3-4(7)5(8)9;/h4,10H,3,7H2,1-2H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-amino-4-hydroxy-4-methylpentanoate?
sodium 2-amino-4-hydroxy-4-methylpentanoate has a molecular weight of 169.16 g/mol, XLogP of -4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-4-hydroxy-4-methylpentanoate is sourced from PubChem (CID 75481657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).