(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid

C8H16O3 — CID 94427029

IUPAC(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
SMILESCCC(C(=O)O)[C@H](O)C(C)C
InChIInChI=1S/C8H16O3/c1-4-6(8(10)11)7(9)5(2)3/h5-7,9H,4H2,1-3H3,(H,10,11)/t6?,7-/m1/s1
InChIKeyWULHJNSNQFCYKE-COBSHVIPSA-N
MW160.21 g/mol
LogP1.11
Rot. Bonds4

About (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid

(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid (PubChem CID 94427029) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
PubChem CID94427029
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
SMILESCCC(C(=O)O)[C@H](O)C(C)C
InChIInChI=1S/C8H16O3/c1-4-6(8(10)11)7(9)5(2)3/h5-7,9H,4H2,1-3H3,(H,10,11)/t6?,7-/m1/s1
InChIKeyWULHJNSNQFCYKE-COBSHVIPSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diethyl-4-oxopentanoic acid
CID 20649735
2-ethyl-3-methoxybutanoic acid
CID 54291806
2-ethyl-3-(3-methylbutyl)butanedioic acid
CID 174966498
(3S)-2-ethyl-3-hydroxypentanedioic acid
CID 87322226
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
3-methylhexane-1,2,4-tricarboxylic acid
CID 175281734
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
2-ethyl-3-sulfanylpentanoic acid
CID 175195304
2,5-diethyl-3-methylhexanedioic acid
CID 173451438
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027
ethane;2-propan-2-ylpentanoic acid
CID 175540570
2-[(1S,2S)-1-hydroxy-2-methylbutyl]propanedioic acid
CID 87479326

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid (CID 94427029) is (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid is CCC(C(=O)O)[C@H](O)C(C)C.
What is the InChIKey of (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid?
The InChIKey is WULHJNSNQFCYKE-COBSHVIPSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-6(8(10)11)7(9)5(2)3/h5-7,9H,4H2,1-3H3,(H,10,11)/t6?,7-/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid?
(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 94427029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).