5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid

C15H19NO2 — CID 117365462

IUPAC5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C15H19NO2/c17-15(18)13-8-14(16-9-13)12-6-4-11(5-7-12)10-2-1-3-10/h4-7,10,13-14,16H,1-3,8-9H2,(H,17,18)
InChIKeyYMPPPSDCMMMKCR-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.69
Rot. Bonds3

About 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid

5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117365462) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117365462
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C15H19NO2/c17-15(18)13-8-14(16-9-13)12-6-4-11(5-7-12)10-2-1-3-10/h4-7,10,13-14,16H,1-3,8-9H2,(H,17,18)
InChIKeyYMPPPSDCMMMKCR-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116960
5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117467617
6-(4-hydroxyphenyl)piperidine-3-carboxylic acid
CID 117168119
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959
5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117396333
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117396339
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid (CID 117365462) is 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YMPPPSDCMMMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)13-8-14(16-9-13)12-6-4-11(5-7-12)10-2-1-3-10/h4-7,10,13-14,16H,1-3,8-9H2,(H,17,18).
What are the key properties of 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid?
5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117365462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).