butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate

C16H23NO3 — CID 150470163

IUPACbutyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-3-12-19-16(18)17-11-7-10-15(17)20-13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3/t15-/m1/s1
InChIKeyHRQADRFDLWRKMS-OAHLLOKOSA-N
MW277.36 g/mol
LogP3.56
Rot. Bonds6

About butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate

butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate (PubChem CID 150470163) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate
PubChem CID150470163
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namebutyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-3-12-19-16(18)17-11-7-10-15(17)20-13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3/t15-/m1/s1
InChIKeyHRQADRFDLWRKMS-OAHLLOKOSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
butyl 2-formyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 156500442
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
benzyl 2-(2-oxoheptyl)pyrrolidine-1-carboxylate
CID 11012572
(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
CID 10976836
benzyl 2-[(E)-hept-1-enyl]pyrrolidine-1-carboxylate
CID 102467264
benzyl (2R)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carboxylate
CID 101064056
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
benzyl 2-(3-oxodecyl)pyrrolidine-1-carboxylate
CID 10642227
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
benzyl (2S)-2-[[(2R,3S)-2-butoxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2S,3S)-2-butoxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 157090738
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841

Frequently Asked Questions

What is the IUPAC name of butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate?
The IUPAC name of butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate (CID 150470163) is butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate.
What is the SMILES notation for butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate?
The canonical SMILES for butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate is CCCCOC(=O)N1CCC[C@H]1OCc1ccccc1.
What is the InChIKey of butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate?
The InChIKey is HRQADRFDLWRKMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-12-19-16(18)17-11-7-10-15(17)20-13-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3/t15-/m1/s1.
What are the key properties of butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate?
butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 150470163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).