(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate

C17H23NO4 — CID 60529591

IUPAC(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
SMILESCCCC(=O)N1CCCC1C(=O)OCc1cccc(OC)c1
InChIInChI=1S/C17H23NO4/c1-3-6-16(19)18-10-5-9-15(18)17(20)22-12-13-7-4-8-14(11-13)21-2/h4,7-8,11,15H,3,5-6,9-10,12H2,1-2H3
InChIKeyJFUINIBJWHQIGZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.53
Rot. Bonds6

About (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate

(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate (PubChem CID 60529591) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
PubChem CID60529591
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
SMILESCCCC(=O)N1CCCC1C(=O)OCc1cccc(OC)c1
InChIInChI=1S/C17H23NO4/c1-3-6-16(19)18-10-5-9-15(18)17(20)22-12-13-7-4-8-14(11-13)21-2/h4,7-8,11,15H,3,5-6,9-10,12H2,1-2H3
InChIKeyJFUINIBJWHQIGZ-UHFFFAOYSA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
ethyl (2S)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822735
ethyl (2R)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822736
(3-phenoxyphenyl)methyl 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CID 21027758
2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
CID 175383774
2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
CID 166373036
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60528704
N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959
(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371716
(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
CID 60554533

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate (CID 60529591) is (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate is CCCC(=O)N1CCCC1C(=O)OCc1cccc(OC)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate?
The InChIKey is JFUINIBJWHQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-6-16(19)18-10-5-9-15(18)17(20)22-12-13-7-4-8-14(11-13)21-2/h4,7-8,11,15H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate?
(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 60529591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).