methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid

C15H21NO4 — CID 142843675

IUPACmethoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
SMILESCCOC.O=C(O)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C12H13NO3.C3H8O/c14-11(13-6-1-2-7-13)9-4-3-5-10(8-9)12(15)16;1-3-4-2/h3-5,8H,1-2,6-7H2,(H,15,16);3H2,1-2H3
InChIKeyQZSISISLPFPTET-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.27
Rot. Bonds3

About methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid

methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid (PubChem CID 142843675) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Namemethoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
PubChem CID142843675
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
SMILESCCOC.O=C(O)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C12H13NO3.C3H8O/c14-11(13-6-1-2-7-13)9-4-3-5-10(8-9)12(15)16;1-3-4-2/h3-5,8H,1-2,6-7H2,(H,15,16);3H2,1-2H3
InChIKeyQZSISISLPFPTET-UHFFFAOYSA-N
XLogP2.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040

Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid?
The IUPAC name of methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid (CID 142843675) is methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid.
What is the SMILES notation for methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid?
The canonical SMILES for methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid is CCOC.O=C(O)c1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid?
The InChIKey is QZSISISLPFPTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.C3H8O/c14-11(13-6-1-2-7-13)9-4-3-5-10(8-9)12(15)16;1-3-4-2/h3-5,8H,1-2,6-7H2,(H,15,16);3H2,1-2H3.
What are the key properties of methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid?
methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 142843675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).