1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid

C15H21NO3 — CID 65066557

IUPAC1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(CCc1ccc(O)cc1)N1CCC(C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-11(16-9-8-13(10-16)15(18)19)2-3-12-4-6-14(17)7-5-12/h4-7,11,13,17H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyJDNICEXJKGVBCR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds5

About 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid

1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 65066557) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID65066557
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(CCc1ccc(O)cc1)N1CCC(C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-11(16-9-8-13(10-16)15(18)19)2-3-12-4-6-14(17)7-5-12/h4-7,11,13,17H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyJDNICEXJKGVBCR-UHFFFAOYSA-N
XLogP2.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
CID 82976975
4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
CID 82980555
1-[4-[4-(4-hydroxyphenyl)butan-2-yl]-1,4-diazepan-1-yl]ethanone
CID 82958265
4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol
CID 82965632
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
1-[1-[(4-bromophenyl)methyl-methylamino]-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904685
1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid
CID 65054052
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid (CID 65066557) is 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid is CC(CCc1ccc(O)cc1)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is JDNICEXJKGVBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(16-9-8-13(10-16)15(18)19)2-3-12-4-6-14(17)7-5-12/h4-7,11,13,17H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid?
1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65066557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).