tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate

C18H24ClFN2O4 — CID 95769148

IUPACtert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24ClFN2O4/c1-18(2,3)26-17(25)22-9-11(23)8-15(22)16(24)21(4)10-12-13(19)6-5-7-14(12)20/h5-7,11,15,23H,8-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyBZQMALMFBMZXDC-IAQYHMDHSA-N
MW386.85 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 95769148) has the molecular formula C18H24ClFN2O4 and a molecular weight of 386.85 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID95769148
Molecular FormulaC18H24ClFN2O4
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC Nametert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24ClFN2O4/c1-18(2,3)26-17(25)22-9-11(23)8-15(22)16(24)21(4)10-12-13(19)6-5-7-14(12)20/h5-7,11,15,23H,8-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyBZQMALMFBMZXDC-IAQYHMDHSA-N
XLogP2.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-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 (2R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167049
tert-butyl (4S)-2-[(4-fluorophenyl)-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 169073264
tert-butyl (2S,4R)-2-[(2-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41373933
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
tert-butyl 2-[(3-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 4537192
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134040898
tert-butyl (3S)-3-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 97174804
(2S,4S)-1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713503
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
tert-butyl (2S)-2-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173162
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61165389
(3S,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540400

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate (CID 95769148) is tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate is CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is BZQMALMFBMZXDC-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H24ClFN2O4/c1-18(2,3)26-17(25)22-9-11(23)8-15(22)16(24)21(4)10-12-13(19)6-5-7-14(12)20/h5-7,11,15,23H,8-10H2,1-4H3/t11-,15-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 386.85 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 95769148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).