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Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate

C21H29NO3 — CID 146224999

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate
SMILESCOC(=O)[C@H](C)[C@H](c1ccc2c(c1)OC1(CCNCC1)CC2)C1CC1
InChIInChI=1S/C21H29NO3/c1-14(20(23)24-2)19(16-4-5-16)17-6-3-15-7-8-21(25-18(15)13-17)9-11-22-12-10-21/h3,6,13-14,16,19,22H,4-5,7-12H2,1-2H3/t14-,19+/m1/s1
InChIKeyOVPFLFPXCMEWFC-KUHUBIRLSA-N
MW343.47 g/mol
LogP3.44
Rot. Bonds4

About Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate

Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate (PubChem CID 146224999) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate.

Molecular Properties

Compound NameMethyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate
PubChem CID146224999
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Namemethyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate
SMILESCOC(=O)[C@H](C)[C@H](c1ccc2c(c1)OC1(CCNCC1)CC2)C1CC1
InChIInChI=1S/C21H29NO3/c1-14(20(23)24-2)19(16-4-5-16)17-6-3-15-7-8-21(25-18(15)13-17)9-11-22-12-10-21/h3,6,13-14,16,19,22H,4-5,7-12H2,1-2H3/t14-,19+/m1/s1
InChIKeyOVPFLFPXCMEWFC-KUHUBIRLSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
The IUPAC name of Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate (CID 146224999) is methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate.
What is the SMILES notation for Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
The canonical SMILES for Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate is COC(=O)[C@H](C)[C@H](c1ccc2c(c1)OC1(CCNCC1)CC2)C1CC1.
What is the InChIKey of Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
The InChIKey is OVPFLFPXCMEWFC-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H29NO3/c1-14(20(23)24-2)19(16-4-5-16)17-6-3-15-7-8-21(25-18(15)13-17)9-11-22-12-10-21/h3,6,13-14,16,19,22H,4-5,7-12H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate has a molecular weight of 343.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate is sourced from PubChem (CID 146224999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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