1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid

C16H19NO4 — CID 119354149

IUPAC1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(OC3CCC3)cc2)C1
InChIInChI=1S/C16H19NO4/c18-15(17-9-8-12(10-17)16(19)20)11-4-6-14(7-5-11)21-13-2-1-3-13/h4-7,12-13H,1-3,8-10H2,(H,19,20)
InChIKeyHDBLRQVYZVKIQH-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.16
Rot. Bonds4

About 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid

1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 119354149) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID119354149
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(OC3CCC3)cc2)C1
InChIInChI=1S/C16H19NO4/c18-15(17-9-8-12(10-17)16(19)20)11-4-6-14(7-5-11)21-13-2-1-3-13/h4-7,12-13H,1-3,8-10H2,(H,19,20)
InChIKeyHDBLRQVYZVKIQH-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
(3S,4S)-1-(4-cyclobutyloxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951522
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-[4-(3,5,5-trimethylazepane-1-carbonyl)phenoxy]cyclohexane-1-carboxylic acid
CID 70834959
(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134764
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid (CID 119354149) is 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(OC3CCC3)cc2)C1.
What is the InChIKey of 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HDBLRQVYZVKIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(17-9-8-12(10-17)16(19)20)11-4-6-14(7-5-11)21-13-2-1-3-13/h4-7,12-13H,1-3,8-10H2,(H,19,20).
What are the key properties of 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid?
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).