(2R)-2-hydroxypentanedioic acid;hydrate

C5H10O6 — CID 141372843

IUPAC(2R)-2-hydroxypentanedioic acid;hydrate
SMILESO.O=C(O)CC[C@@H](O)C(=O)O
InChIInChI=1S/C5H8O5.H2O/c6-3(5(9)10)1-2-4(7)8;/h3,6H,1-2H2,(H,7,8)(H,9,10);1H2/t3-;/m1./s1
InChIKeyBRPUYEVETKMEOU-AENDTGMFSA-N
MW166.13 g/mol
LogP-1.53
Rot. Bonds4

About (2R)-2-hydroxypentanedioic acid;hydrate

(2R)-2-hydroxypentanedioic acid;hydrate (PubChem CID 141372843) has the molecular formula C5H10O6 and a molecular weight of 166.13 g/mol. Its IUPAC name is (2R)-2-hydroxypentanedioic acid;hydrate.

Molecular Properties

Compound Name(2R)-2-hydroxypentanedioic acid;hydrate
PubChem CID141372843
Molecular FormulaC5H10O6
Molecular Weight166.13 g/mol
Exact Mass166.05
IUPAC Name(2R)-2-hydroxypentanedioic acid;hydrate
SMILESO.O=C(O)CC[C@@H](O)C(=O)O
InChIInChI=1S/C5H8O5.H2O/c6-3(5(9)10)1-2-4(7)8;/h3,6H,1-2H2,(H,7,8)(H,9,10);1H2/t3-;/m1./s1
InChIKeyBRPUYEVETKMEOU-AENDTGMFSA-N
XLogP-1.53
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
2-hydroxypentanedioic acid;urea
CID 175478828
2-hydroxyheptanedioic acid
CID 160889869
2-hydroxynonanedioic acid
CID 12760708
4-hydroxy-5-iodo-5-oxopentanoic acid
CID 90138235
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313
butanedioic acid;2-hydroxy-4-methylsulfanylbutanoic acid
CID 175175078
4,7,10-trihydroxytridecanedioic acid
CID 174508120
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxypentanedioic acid;hydrate?
The IUPAC name of (2R)-2-hydroxypentanedioic acid;hydrate (CID 141372843) is (2R)-2-hydroxypentanedioic acid;hydrate.
What is the SMILES notation for (2R)-2-hydroxypentanedioic acid;hydrate?
The canonical SMILES for (2R)-2-hydroxypentanedioic acid;hydrate is O.O=C(O)CC[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxypentanedioic acid;hydrate?
The InChIKey is BRPUYEVETKMEOU-AENDTGMFSA-N. The full InChI is InChI=1S/C5H8O5.H2O/c6-3(5(9)10)1-2-4(7)8;/h3,6H,1-2H2,(H,7,8)(H,9,10);1H2/t3-;/m1./s1.
What are the key properties of (2R)-2-hydroxypentanedioic acid;hydrate?
(2R)-2-hydroxypentanedioic acid;hydrate has a molecular weight of 166.13 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxypentanedioic acid;hydrate is sourced from PubChem (CID 141372843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).