5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid

C14H19NO3 — CID 117116974

IUPAC5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCC(O)Cc1cccc(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H19NO3/c1-9(16)5-10-3-2-4-11(6-10)13-7-12(8-15-13)14(17)18/h2-4,6,9,12-13,15-16H,5,7-8H2,1H3,(H,17,18)
InChIKeyCADNRWRASLLLEH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.35
Rot. Bonds4

About 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid

5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117116974) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117116974
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCC(O)Cc1cccc(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H19NO3/c1-9(16)5-10-3-2-4-11(6-10)13-7-12(8-15-13)14(17)18/h2-4,6,9,12-13,15-16H,5,7-8H2,1H3,(H,17,18)
InChIKeyCADNRWRASLLLEH-UHFFFAOYSA-N
XLogP1.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117376080
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736
5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117463562
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
5-[3-(1,1-dioxothietan-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117496212
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117470579
5-(1-propan-2-ylbenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117436094
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid (CID 117116974) is 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid is CC(O)Cc1cccc(C2CC(C(=O)O)CN2)c1.
What is the InChIKey of 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CADNRWRASLLLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(16)5-10-3-2-4-11(6-10)13-7-12(8-15-13)14(17)18/h2-4,6,9,12-13,15-16H,5,7-8H2,1H3,(H,17,18).
What are the key properties of 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid?
5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117116974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).