(2S)-2-hydroxy-4-methylpentanoate

C6H11O3- — CID 6951541

IUPAC(2S)-2-hydroxy-4-methylpentanoate
SMILESCC(C)C[C@H](O)C(=O)[O-]
InChIInChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyLVRFTAZAXQPQHI-YFKPBYRVSA-M
MW131.15 g/mol
LogP-0.86
Rot. Bonds3

About (2S)-2-hydroxy-4-methylpentanoate

(2S)-2-hydroxy-4-methylpentanoate (PubChem CID 6951541) has the molecular formula C6H11O3- and a molecular weight of 131.15 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-methylpentanoate
PubChem CID6951541
Molecular FormulaC6H11O3-
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(2S)-2-hydroxy-4-methylpentanoate
SMILESCC(C)C[C@H](O)C(=O)[O-]
InChIInChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyLVRFTAZAXQPQHI-YFKPBYRVSA-M
XLogP-0.86
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-methylpentanoate?
The IUPAC name of (2S)-2-hydroxy-4-methylpentanoate (CID 6951541) is (2S)-2-hydroxy-4-methylpentanoate.
What is the SMILES notation for (2S)-2-hydroxy-4-methylpentanoate?
The canonical SMILES for (2S)-2-hydroxy-4-methylpentanoate is CC(C)C[C@H](O)C(=O)[O-].
What is the InChIKey of (2S)-2-hydroxy-4-methylpentanoate?
The InChIKey is LVRFTAZAXQPQHI-YFKPBYRVSA-M. The full InChI is InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-methylpentanoate?
(2S)-2-hydroxy-4-methylpentanoate has a molecular weight of 131.15 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-methylpentanoate is sourced from PubChem (CID 6951541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).