(2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid

C7H15NO3 — CID 87376375

IUPAC(2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid
SMILESCN(C)[C@@](C)(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(4-5-9,6(10)11)8(2)3/h9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyCWYZIIUOPDGRHW-ZETCQYMHSA-N
MW161.20 g/mol
LogP-0.23
Rot. Bonds4

About (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid

(2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid (PubChem CID 87376375) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid
PubChem CID87376375
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid
SMILESCN(C)[C@@](C)(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(4-5-9,6(10)11)8(2)3/h9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyCWYZIIUOPDGRHW-ZETCQYMHSA-N
XLogP-0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid?
The IUPAC name of (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid (CID 87376375) is (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid is CN(C)[C@@](C)(CCO)C(=O)O.
What is the InChIKey of (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid?
The InChIKey is CWYZIIUOPDGRHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(4-5-9,6(10)11)8(2)3/h9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid?
(2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-4-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 87376375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).