3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid

C17H19NO4 — CID 146102912

IUPAC3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(C(=O)N3CCCC3c3ccc(O)cc3)(C1)C2
InChIInChI=1S/C17H19NO4/c19-12-5-3-11(4-6-12)13-2-1-7-18(13)14(20)16-8-17(9-16,10-16)15(21)22/h3-6,13,19H,1-2,7-10H2,(H,21,22)
InChIKeyXPACZCGZWXGRLL-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.31
Rot. Bonds3

About 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 146102912) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID146102912
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(C(=O)N3CCCC3c3ccc(O)cc3)(C1)C2
InChIInChI=1S/C17H19NO4/c19-12-5-3-11(4-6-12)13-2-1-7-18(13)14(20)16-8-17(9-16,10-16)15(21)22/h3-6,13,19H,1-2,7-10H2,(H,21,22)
InChIKeyXPACZCGZWXGRLL-UHFFFAOYSA-N
XLogP2.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 171086663
(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 65465058
2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 75495963
1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51856452
(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 63121925
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
2-[2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 52513916
3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94801020
1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 47828879
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 146102912) is 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid is O=C(O)C12CC(C(=O)N3CCCC3c3ccc(O)cc3)(C1)C2.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is XPACZCGZWXGRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-12-5-3-11(4-6-12)13-2-1-7-18(13)14(20)16-8-17(9-16,10-16)15(21)22/h3-6,13,19H,1-2,7-10H2,(H,21,22).
What are the key properties of 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)pyrrolidine-1-carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 146102912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).