tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate

C15H20ClNO3 — CID 170985255

IUPACtert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO3/c1-14(2,3)20-13(18)17-9-8-15(19,10-17)11-6-4-5-7-12(11)16/h4-7,19H,8-10H2,1-3H3
InChIKeyWQTODWXJUXVCKG-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.17
Rot. Bonds1

About tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate

tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 170985255) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
PubChem CID170985255
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Nametert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO3/c1-14(2,3)20-13(18)17-9-8-15(19,10-17)11-6-4-5-7-12(11)16/h4-7,19H,8-10H2,1-3H3
InChIKeyWQTODWXJUXVCKG-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
CID 139491021
tert-butyl (3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)thiophen-3-yl]pyrrolidine-1-carboxylate
CID 124566602
tert-butyl 2-amino-2-(3-chloro-2-methylphenyl)-6-azaspiro[3.4]octane-6-carboxylate
CID 177346345
tert-butyl 3-(3,5-difluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 67403681
tert-butyl 4-(4-chloro-3-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123559362
tert-butyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 10474870
tert-butyl 4-hydroxy-4-[2-(1-hydroxypropan-2-yl)phenyl]piperidine-1-carboxylate
CID 169137964
tert-butyl 4-(1-benzothiophen-3-yl)-4-hydroxypiperidine-1-carboxylate
CID 71512889
tert-butyl 4-hydroxy-4-[2-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 69152676
tert-butyl 3-(7-chloro-1H-indol-3-yl)-3-hydroxyazetidine-1-carboxylate
CID 168941620
tert-butyl (1R)-1-amino-7-chlorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530626

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate (CID 170985255) is tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2Cl)C1.
What is the InChIKey of tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is WQTODWXJUXVCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-14(2,3)20-13(18)17-9-8-15(19,10-17)11-6-4-5-7-12(11)16/h4-7,19H,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 297.78 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 170985255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).