(2S)-2-ethylbutanedioic acid

C6H10O4 — CID 6997245

IUPAC(2S)-2-ethylbutanedioic acid
SMILESCC[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-2-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyRVHOBHMAPRVOLO-BYPYZUCNSA-N
MW146.14 g/mol
LogP0.57
Rot. Bonds4

About (2S)-2-ethylbutanedioic acid

(2S)-2-ethylbutanedioic acid (PubChem CID 6997245) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2S)-2-ethylbutanedioic acid.

Molecular Properties

Compound Name(2S)-2-ethylbutanedioic acid
PubChem CID6997245
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2S)-2-ethylbutanedioic acid
SMILESCC[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-2-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyRVHOBHMAPRVOLO-BYPYZUCNSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylbutanedioic acid?
The IUPAC name of (2S)-2-ethylbutanedioic acid (CID 6997245) is (2S)-2-ethylbutanedioic acid.
What is the SMILES notation for (2S)-2-ethylbutanedioic acid?
The canonical SMILES for (2S)-2-ethylbutanedioic acid is CC[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-ethylbutanedioic acid?
The InChIKey is RVHOBHMAPRVOLO-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10O4/c1-2-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-ethylbutanedioic acid?
(2S)-2-ethylbutanedioic acid has a molecular weight of 146.14 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethylbutanedioic acid is sourced from PubChem (CID 6997245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).