benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate

C14H17NO4 — CID 177217744

IUPACbenzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate
SMILESCON1C(=O)CCC1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-18-15-12(7-8-13(15)16)9-14(17)19-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeySBRRADYUKSCZCK-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.67
Rot. Bonds5

About benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate

benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate (PubChem CID 177217744) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate
PubChem CID177217744
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate
SMILESCON1C(=O)CCC1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-18-15-12(7-8-13(15)16)9-14(17)19-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeySBRRADYUKSCZCK-UHFFFAOYSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R,3S)-2-[(2R)-1-ethoxy-1-oxopent-4-en-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyrrolidine-1-carboxylate
CID 44523470
1,3-Pyrrolidinedicarboxylic acid, 4-ethyl-, 1-(phenylmethyl) ester, (3R,4S)-
CID 89439875
Benzyl 3-(5-oxopyrrolidin-2-YL)propanoate
CID 15588871
3-Benzyl 1-tert-butyl pyrrolidine-1,3-dicarboxylate
CID 12162212
O1-benzyl O18-(2,5-dioxopyrrolidin-1-yl) octadecanedioate
CID 58419211
benzyl (E)-3-(5-oxopyrrolidin-2-yl)prop-2-enoate
CID 13803382
tert-butyl (2S,4R)-2-[2-[methoxy(methyl)amino]-2-oxoethyl]-4-phenylmethoxypyrrolidine-1-carboxylate
CID 44202098
1-Phenylethyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 44364674
benzyl N-[(2S)-2-fluoro-1-oxopentan-3-yl]-N-methoxycarbamate
CID 135064652
benzyl (2S)-2-(2-methoxy-2-oxoethyl)azepane-1-carboxylate
CID 101924408
2-Ketopropionyl-l-proline benzyl ester
CID 9900210
Dimethyl 2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)butanedioate
CID 14122096

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate?
The IUPAC name of benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate (CID 177217744) is benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate.
What is the SMILES notation for benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate?
The canonical SMILES for benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate is CON1C(=O)CCC1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate?
The InChIKey is SBRRADYUKSCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-15-12(7-8-13(15)16)9-14(17)19-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate?
benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate has a molecular weight of 263.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1-methoxy-5-oxopyrrolidin-2-yl)acetate is sourced from PubChem (CID 177217744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).