[(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate

C14H19NO2 — CID 175006452

IUPAC[(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate
SMILESCC[C@@H](OC(=O)C1CCNC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13(11-6-4-3-5-7-11)17-14(16)12-8-9-15-10-12/h3-7,12-13,15H,2,8-10H2,1H3/t12?,13-/m1/s1
InChIKeyPMRYFCXUJXWFGK-ZGTCLIOFSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds4

About [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate

[(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate (PubChem CID 175006452) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate
PubChem CID175006452
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate
SMILESCC[C@@H](OC(=O)C1CCNC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13(11-6-4-3-5-7-11)17-14(16)12-8-9-15-10-12/h3-7,12-13,15H,2,8-10H2,1H3/t12?,13-/m1/s1
InChIKeyPMRYFCXUJXWFGK-ZGTCLIOFSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl (3S)-pyrrolidine-3-carboxylate
CID 130688527
1-phenylpropyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450692
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
1-phenylpropyl 2-hydroxyacetate
CID 174847309
1-phenylpropyl 2-phenylpropanoate
CID 174489936
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
1,2-diphenylethyl 1-methylpiperidine-4-carboxylate
CID 70925787

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate?
The IUPAC name of [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate (CID 175006452) is [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate.
What is the SMILES notation for [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate?
The canonical SMILES for [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate is CC[C@@H](OC(=O)C1CCNC1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate?
The InChIKey is PMRYFCXUJXWFGK-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-13(11-6-4-3-5-7-11)17-14(16)12-8-9-15-10-12/h3-7,12-13,15H,2,8-10H2,1H3/t12?,13-/m1/s1.
What are the key properties of [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate?
[(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylpropyl] pyrrolidine-3-carboxylate is sourced from PubChem (CID 175006452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).