[(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate

C10H12O5 — CID 10465769

IUPAC[(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate
SMILESC[C@H](CCO)OC(=O)c1cccoc1=O
InChIInChI=1S/C10H12O5/c1-7(4-5-11)15-10(13)8-3-2-6-14-9(8)12/h2-3,6-7,11H,4-5H2,1H3/t7-/m1/s1
InChIKeyKRJXGXWRWNJJMZ-SSDOTTSWSA-N
MW212.20 g/mol
LogP0.57
Rot. Bonds4

About [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate

[(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate (PubChem CID 10465769) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate
PubChem CID10465769
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name[(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate
SMILESC[C@H](CCO)OC(=O)c1cccoc1=O
InChIInChI=1S/C10H12O5/c1-7(4-5-11)15-10(13)8-3-2-6-14-9(8)12/h2-3,6-7,11H,4-5H2,1H3/t7-/m1/s1
InChIKeyKRJXGXWRWNJJMZ-SSDOTTSWSA-N
XLogP0.57
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate
CID 10359036
1-O-methyl 2-O-pentan-2-yl benzene-1,2-dicarboxylate
CID 6424485
4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458
2-O-pentan-2-yl 1-O-propyl benzene-1,2-dicarboxylate
CID 6424024
2-[(2S)-hexan-2-yl]oxycarbonylbenzoic acid
CID 40535439
octan-2-yl naphthalene-1-carboxylate
CID 152706157
2-O-pentan-2-yl 1-O-phenyl benzene-1,2-dicarboxylate
CID 6423658
bis(1,3-dihydroxypropyl) benzene-1,2-dicarboxylate
CID 175470456
trimethyl-[2-[2-[1-(trimethylazaniumyl)propan-2-yloxycarbonyl]benzoyl]oxypropyl]azanium diiodide
CID 24833497
[(1S,2R)-1-(furan-2-yl)-4-hydroxy-2-methylbutyl] N-methylcarbamate
CID 144595697
2-(1-hydroxypropan-2-yloxycarbonyl)benzoate
CID 18629865
1-O-decyl 2-O-pentan-2-yl benzene-1,2-dicarboxylate
CID 6423896

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate?
The IUPAC name of [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate (CID 10465769) is [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate.
What is the SMILES notation for [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate?
The canonical SMILES for [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate is C[C@H](CCO)OC(=O)c1cccoc1=O.
What is the InChIKey of [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate?
The InChIKey is KRJXGXWRWNJJMZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12O5/c1-7(4-5-11)15-10(13)8-3-2-6-14-9(8)12/h2-3,6-7,11H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate?
[(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxybutan-2-yl] 2-oxopyran-3-carboxylate is sourced from PubChem (CID 10465769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).