(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate

C14H19NO3 — CID 151786501

IUPAC(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
SMILESCOC(Cc1ccccc1)OC(=O)N1CCCC1
InChIInChI=1S/C14H19NO3/c1-17-13(11-12-7-3-2-4-8-12)18-14(16)15-9-5-6-10-15/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyRVSGSTBQJWCNBS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds4

About (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate

(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate (PubChem CID 151786501) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
PubChem CID151786501
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
SMILESCOC(Cc1ccccc1)OC(=O)N1CCCC1
InChIInChI=1S/C14H19NO3/c1-17-13(11-12-7-3-2-4-8-12)18-14(16)15-9-5-6-10-15/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyRVSGSTBQJWCNBS-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate
CID 175255593
(2-phenoxy-1-phenylmethoxyethyl) azepane-1-carboxylate
CID 57003333
benzyl piperidine-1-carboxylate
CID 158057698
[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate
CID 178119297
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 141152240
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
CID 15172767
(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid
CID 70049553
(2S)-2-(2-acetyldiazinane-1-carbonyl)oxy-3-phenylpropanoic acid
CID 18638843

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate?
The IUPAC name of (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate (CID 151786501) is (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate?
The canonical SMILES for (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate is COC(Cc1ccccc1)OC(=O)N1CCCC1.
What is the InChIKey of (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate?
The InChIKey is RVSGSTBQJWCNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13(11-12-7-3-2-4-8-12)18-14(16)15-9-5-6-10-15/h2-4,7-8,13H,5-6,9-11H2,1H3.
What are the key properties of (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate?
(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 151786501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).