benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate

C16H22O4 — CID 170255846

IUPACbenzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate
SMILESCO[C@@H]([C@@H]1CCCO1)[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H22O4/c1-12(15(18-2)14-9-6-10-19-14)16(17)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3/t12-,14+,15-/m1/s1
InChIKeyZERVEFAWUXPEED-VHDGCEQUSA-N
MW278.35 g/mol
LogP2.56
Rot. Bonds6

About benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate

benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate (PubChem CID 170255846) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate
PubChem CID170255846
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Namebenzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate
SMILESCO[C@@H]([C@@H]1CCCO1)[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H22O4/c1-12(15(18-2)14-9-6-10-19-14)16(17)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3/t12-,14+,15-/m1/s1
InChIKeyZERVEFAWUXPEED-VHDGCEQUSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid
CID 82839614
(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941294
benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
CID 169233060
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate
CID 142383171
benzyl 2-(3-methyloxolan-2-yl)propanoate
CID 166754558
benzyl 6-propan-2-yloxane-2-carboxylate
CID 134164699
benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate
CID 155821015
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate?
The IUPAC name of benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate (CID 170255846) is benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate.
What is the SMILES notation for benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate?
The canonical SMILES for benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate is CO[C@@H]([C@@H]1CCCO1)[C@@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate?
The InChIKey is ZERVEFAWUXPEED-VHDGCEQUSA-N. The full InChI is InChI=1S/C16H22O4/c1-12(15(18-2)14-9-6-10-19-14)16(17)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3/t12-,14+,15-/m1/s1.
What are the key properties of benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate?
benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate is sourced from PubChem (CID 170255846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).