benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate

C19H21NO3 — CID 137320135

IUPACbenzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1cccc(C2CCCN2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-22-17-10-5-9-16(13-17)18-11-6-12-20(18)19(21)23-14-15-7-3-2-4-8-15/h2-5,7-10,13,18H,6,11-12,14H2,1H3
InChIKeyDTGJEMVSJGYKSU-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.17
Rot. Bonds4

About benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate

benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 137320135) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
PubChem CID137320135
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1cccc(C2CCCN2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-22-17-10-5-9-16(13-17)18-11-6-12-20(18)19(21)23-14-15-7-3-2-4-8-15/h2-5,7-10,13,18H,6,11-12,14H2,1H3
InChIKeyDTGJEMVSJGYKSU-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
benzyl 2-(3-fluoro-4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 66621283
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55497289
2-methyl-2-[3-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-2-yl]phenoxy]propanoic acid
CID 151641485
2-amino-3-methoxy-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120984555

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate (CID 137320135) is benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate is COc1cccc(C2CCCN2C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is DTGJEMVSJGYKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-10-5-9-16(13-17)18-11-6-12-20(18)19(21)23-14-15-7-3-2-4-8-15/h2-5,7-10,13,18H,6,11-12,14H2,1H3.
What are the key properties of benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 137320135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).