(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid

C6H10O5 — CID 92975324

IUPAC(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)[C@H](O)CCC(=O)O
InChIInChI=1S/C6H10O5/c1-11-6(10)4(7)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyNXXFVFBJXDHVRC-SCSAIBSYSA-N
MW162.14 g/mol
LogP-0.61
Rot. Bonds4

About (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid

(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid (PubChem CID 92975324) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
PubChem CID92975324
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)[C@H](O)CCC(=O)O
InChIInChI=1S/C6H10O5/c1-11-6(10)4(7)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyNXXFVFBJXDHVRC-SCSAIBSYSA-N
XLogP-0.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
methyl 2-hydroxypentanoate
CID 543619
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
dimethyl 2-hydroxyhexanedioate
CID 13448463
methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate
CID 170372518
2-hydroxypentanedioic acid;urea
CID 175478828
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
methyl 5-chloro-2-hydroxypentanoate
CID 55302399
(4S)-4-(tert-butylamino)-5-methoxy-5-oxopentanoic acid
CID 54041640
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
(4S)-4-amino-4-methoxybutanoic acid
CID 146176394

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid (CID 92975324) is (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid is COC(=O)[C@H](O)CCC(=O)O.
What is the InChIKey of (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid?
The InChIKey is NXXFVFBJXDHVRC-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10O5/c1-11-6(10)4(7)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1.
What are the key properties of (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid?
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid has a molecular weight of 162.14 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 92975324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).