2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate

C23H32O6 — CID 97254404

IUPAC2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate
SMILESC[C@H](OCC1CC1)C(=O)OCCc1ccccc1COC(=O)[C@@H](C)OCC1CC1
InChIInChI=1S/C23H32O6/c1-16(27-13-18-7-8-18)22(24)26-12-11-20-5-3-4-6-21(20)15-29-23(25)17(2)28-14-19-9-10-19/h3-6,16-19H,7-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyCODKCRGWDCPSNO-DLBZAZTESA-N
MW404.50 g/mol
LogP3.45
Rot. Bonds13

About 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate

2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate (PubChem CID 97254404) has the molecular formula C23H32O6 and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate.

Molecular Properties

Compound Name2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate
PubChem CID97254404
Molecular FormulaC23H32O6
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate
SMILESC[C@H](OCC1CC1)C(=O)OCCc1ccccc1COC(=O)[C@@H](C)OCC1CC1
InChIInChI=1S/C23H32O6/c1-16(27-13-18-7-8-18)22(24)26-12-11-20-5-3-4-6-21(20)15-29-23(25)17(2)28-14-19-9-10-19/h3-6,16-19H,7-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyCODKCRGWDCPSNO-DLBZAZTESA-N
XLogP3.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate with MolForge

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Related Compounds

(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
CID 86847227
2-(cyclopropylmethoxy)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 48530161
(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate
CID 94201532
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one
CID 95325747
(2R)-2-(cyclopropylmethoxy)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide
CID 95281968
2-(cyclopropylmethoxymethyl)benzohydrazide
CID 63575207
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
CID 99776072
2-(cyclobutylmethoxy)propanamide
CID 164935394
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate?
The IUPAC name of 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate (CID 97254404) is 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate.
What is the SMILES notation for 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate?
The canonical SMILES for 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate is C[C@H](OCC1CC1)C(=O)OCCc1ccccc1COC(=O)[C@@H](C)OCC1CC1.
What is the InChIKey of 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate?
The InChIKey is CODKCRGWDCPSNO-DLBZAZTESA-N. The full InChI is InChI=1S/C23H32O6/c1-16(27-13-18-7-8-18)22(24)26-12-11-20-5-3-4-6-21(20)15-29-23(25)17(2)28-14-19-9-10-19/h3-6,16-19H,7-15H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate?
2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate has a molecular weight of 404.50 g/mol, XLogP of 3.45, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate is sourced from PubChem (CID 97254404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).