benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C19H19NO4 — CID 7545638

IUPACbenzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccccc1N1C[C@@H](C(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C19H19NO4/c1-23-17-10-6-5-9-16(17)20-12-15(11-18(20)21)19(22)24-13-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3/t15-/m0/s1
InChIKeyRTECJUGZOVEUMM-HNNXBMFYSA-N
MW325.36 g/mol
LogP2.79
Rot. Bonds5

About benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7545638) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7545638
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namebenzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccccc1N1C[C@@H](C(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C19H19NO4/c1-23-17-10-6-5-9-16(17)20-12-15(11-18(20)21)19(22)24-13-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3/t15-/m0/s1
InChIKeyRTECJUGZOVEUMM-HNNXBMFYSA-N
XLogP2.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543997
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7544042
(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545530
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546627
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543266
(4-methylphenyl)methyl (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466348
methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
CID 42569429
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 7545638) is benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1ccccc1N1C[C@@H](C(=O)OCc2ccccc2)CC1=O.
What is the InChIKey of benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RTECJUGZOVEUMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-17-10-6-5-9-16(17)20-12-15(11-18(20)21)19(22)24-13-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3/t15-/m0/s1.
What are the key properties of benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7545638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).