[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate

C15H21NO3 — CID 848692

IUPAC[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)CN2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-12(11-16-9-3-4-10-16)19-15(17)13-5-7-14(18-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeyFHILPKJQDVQFTR-GFCCVEGCSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds5

About [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate

[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate (PubChem CID 848692) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
PubChem CID848692
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)CN2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-12(11-16-9-3-4-10-16)19-15(17)13-5-7-14(18-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeyFHILPKJQDVQFTR-GFCCVEGCSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
CID 3781390
hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
CID 646573
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 937091
1-piperidin-1-ylpropan-2-yl 3,5-dimethylbenzoate
CID 71391258
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
CID 3064490
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
[(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ylpropyl] benzoate
CID 7411313
[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl] 4-fluorobenzoate
CID 755785
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
CID 52998166

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate?
The IUPAC name of [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate (CID 848692) is [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate.
What is the SMILES notation for [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate?
The canonical SMILES for [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate is COc1ccc(C(=O)O[C@H](C)CN2CCCC2)cc1.
What is the InChIKey of [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate?
The InChIKey is FHILPKJQDVQFTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(11-16-9-3-4-10-16)19-15(17)13-5-7-14(18-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate?
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate is sourced from PubChem (CID 848692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).