(2R)-2-ethyl-5-hydroxyheptanedioic acid

C9H16O5 — CID 59616410

IUPAC(2R)-2-ethyl-5-hydroxyheptanedioic acid
SMILESCC[C@H](CCC(O)CC(=O)O)C(=O)O
InChIInChI=1S/C9H16O5/c1-2-6(9(13)14)3-4-7(10)5-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7?/m1/s1
InChIKeyGHWRPFOWGDIILH-ULUSZKPHSA-N
MW204.22 g/mol
LogP0.71
Rot. Bonds7

About (2R)-2-ethyl-5-hydroxyheptanedioic acid

(2R)-2-ethyl-5-hydroxyheptanedioic acid (PubChem CID 59616410) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2R)-2-ethyl-5-hydroxyheptanedioic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-5-hydroxyheptanedioic acid
PubChem CID59616410
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(2R)-2-ethyl-5-hydroxyheptanedioic acid
SMILESCC[C@H](CCC(O)CC(=O)O)C(=O)O
InChIInChI=1S/C9H16O5/c1-2-6(9(13)14)3-4-7(10)5-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7?/m1/s1
InChIKeyGHWRPFOWGDIILH-ULUSZKPHSA-N
XLogP0.71
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethylbutanedioic acid
CID 6997245
2-(3-hydroxypentyl)pentanedioic acid
CID 134211777
octane-1,2,5,6-tetracarboxylic acid
CID 22439322
3-hydroxyhexanoic acid;methane
CID 175209406
3-hydroxypentanoic acid;methanol
CID 174973747
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-[2-[bis(carboxymethyl)amino]-2-oxoethyl]-5-hydroxyheptanoic acid
CID 159990422
2-ethylpentanoic acid;2-hydroxyacetic acid
CID 87121623
3-hydroxyoctanoic acid
CID 159718411
3-hydroxynon-6-enoic acid
CID 57374123
2-hydroxypentanoic acid;3-hydroxypentanoic acid
CID 158404048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-5-hydroxyheptanedioic acid?
The IUPAC name of (2R)-2-ethyl-5-hydroxyheptanedioic acid (CID 59616410) is (2R)-2-ethyl-5-hydroxyheptanedioic acid.
What is the SMILES notation for (2R)-2-ethyl-5-hydroxyheptanedioic acid?
The canonical SMILES for (2R)-2-ethyl-5-hydroxyheptanedioic acid is CC[C@H](CCC(O)CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-5-hydroxyheptanedioic acid?
The InChIKey is GHWRPFOWGDIILH-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H16O5/c1-2-6(9(13)14)3-4-7(10)5-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7?/m1/s1.
What are the key properties of (2R)-2-ethyl-5-hydroxyheptanedioic acid?
(2R)-2-ethyl-5-hydroxyheptanedioic acid has a molecular weight of 204.22 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-5-hydroxyheptanedioic acid is sourced from PubChem (CID 59616410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).