(2S,3R)-2-ethyl-3-hydroxybutanedioic acid

C6H10O5 — CID 14988521

IUPAC(2S,3R)-2-ethyl-3-hydroxybutanedioic acid
SMILESCCC(C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m1/s1
InChIKeyJUCRENBZZQKFGK-SRBOSORUSA-N
MW162.14 g/mol
LogP-0.46
Rot. Bonds4

About (2S,3R)-2-ethyl-3-hydroxybutanedioic acid

(2S,3R)-2-ethyl-3-hydroxybutanedioic acid (PubChem CID 14988521) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-hydroxybutanedioic acid.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-hydroxybutanedioic acid
PubChem CID14988521
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2S,3R)-2-ethyl-3-hydroxybutanedioic acid
SMILESCCC(C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m1/s1
InChIKeyJUCRENBZZQKFGK-SRBOSORUSA-N
XLogP-0.46
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-hydroxybutanedioic acid?
The IUPAC name of (2S,3R)-2-ethyl-3-hydroxybutanedioic acid (CID 14988521) is (2S,3R)-2-ethyl-3-hydroxybutanedioic acid.
What is the SMILES notation for (2S,3R)-2-ethyl-3-hydroxybutanedioic acid?
The canonical SMILES for (2S,3R)-2-ethyl-3-hydroxybutanedioic acid is CCC(C(=O)O)[C@@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-2-ethyl-3-hydroxybutanedioic acid?
The InChIKey is JUCRENBZZQKFGK-SRBOSORUSA-N. The full InChI is InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-3-hydroxybutanedioic acid?
(2S,3R)-2-ethyl-3-hydroxybutanedioic acid has a molecular weight of 162.14 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-hydroxybutanedioic acid is sourced from PubChem (CID 14988521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).