5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid

C15H18ClNO3 — CID 117476462

IUPAC5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cc(Cl)ccc2OC2CCC2)C1
InChIInChI=1S/C15H18ClNO3/c16-10-4-5-14(20-11-2-1-3-11)12(7-10)13-6-9(8-17-13)15(18)19/h4-5,7,9,11,13,17H,1-3,6,8H2,(H,18,19)
InChIKeyDHILNSSXJKZQNC-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.01
Rot. Bonds4

About 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid

5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117476462) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117476462
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cc(Cl)ccc2OC2CCC2)C1
InChIInChI=1S/C15H18ClNO3/c16-10-4-5-14(20-11-2-1-3-11)12(7-10)13-6-9(8-17-13)15(18)19/h4-5,7,9,11,13,17H,1-3,6,8H2,(H,18,19)
InChIKeyDHILNSSXJKZQNC-UHFFFAOYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117440422
5-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117117066
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
5-[2-(1,1-dioxothietan-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117496211
5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117442644
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117498911
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117392324
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid (CID 117476462) is 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2cc(Cl)ccc2OC2CCC2)C1.
What is the InChIKey of 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DHILNSSXJKZQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-10-4-5-14(20-11-2-1-3-11)12(7-10)13-6-9(8-17-13)15(18)19/h4-5,7,9,11,13,17H,1-3,6,8H2,(H,18,19).
What are the key properties of 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid?
5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117476462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).