(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid

C8H14O5 — CID 162867940

IUPAC(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
SMILESCOC(=O)[C@H](O)[C@H](C(=O)O)C(C)C
InChIInChI=1S/C8H14O5/c1-4(2)5(7(10)11)6(9)8(12)13-3/h4-6,9H,1-3H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyYFUPBIBIDVFELV-PHDIDXHHSA-N
MW190.19 g/mol
LogP-0.12
Rot. Bonds4

About (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid

(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 162867940) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID162867940
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
SMILESCOC(=O)[C@H](O)[C@H](C(=O)O)C(C)C
InChIInChI=1S/C8H14O5/c1-4(2)5(7(10)11)6(9)8(12)13-3/h4-6,9H,1-3H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyYFUPBIBIDVFELV-PHDIDXHHSA-N
XLogP-0.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-methoxycarbonyl-4-methyl-2-propan-2-ylpentanoic acid
CID 118404303
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate
CID 62397378
2-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 66039301
(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
(2S,3S,4R)-3-amino-2-[(1S)-1-hydroxyethyl]-5-methoxy-4-methyl-5-oxopentanoic acid
CID 14305494
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
(2S)-2-hydroxy-2,3-dimethylbutanoic acid;methyl (2S)-2-hydroxy-3-methylbutanoate
CID 158364328
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid (CID 162867940) is (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid is COC(=O)[C@H](O)[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is YFUPBIBIDVFELV-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14O5/c1-4(2)5(7(10)11)6(9)8(12)13-3/h4-6,9H,1-3H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid?
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 190.19 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 162867940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).