ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate

C14H19NO3 — CID 163559510

IUPACethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2ccc(C)cc2)C1
InChIInChI=1S/C14H19NO3/c1-3-18-13(16)15-9-8-14(17,10-15)12-6-4-11(2)5-7-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyFPZWIWYIHYPWPC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds2

About ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate

ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate (PubChem CID 163559510) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
PubChem CID163559510
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2ccc(C)cc2)C1
InChIInChI=1S/C14H19NO3/c1-3-18-13(16)15-9-8-14(17,10-15)12-6-4-11(2)5-7-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyFPZWIWYIHYPWPC-UHFFFAOYSA-N
XLogP2.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[1-(4-hydroxyphenyl)cyclopropyl]methanone
CID 166280981
1-[3-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 166309527
ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
CID 129156425
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248
[3-[(3S)-3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 92628839
4-[2-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 46975838
4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
CID 67084559

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate (CID 163559510) is ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(O)(c2ccc(C)cc2)C1.
What is the InChIKey of ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate?
The InChIKey is FPZWIWYIHYPWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-13(16)15-9-8-14(17,10-15)12-6-4-11(2)5-7-12/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate?
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 163559510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).