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

C13H25NO3 — CID 141408169

IUPACtert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)[C@@H]1C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)10-9(15)7-8-14(10)11(16)17-13(4,5)6/h9-10,15H,7-8H2,1-6H3/t9?,10-/m1/s1
InChIKeyVAPDVJKSFXHBRJ-QVDQXJPCSA-N
MW243.35 g/mol
LogP2.40
Rot. Bonds

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

tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 141408169) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
PubChem CID141408169
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)[C@@H]1C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)10-9(15)7-8-14(10)11(16)17-13(4,5)6/h9-10,15H,7-8H2,1-6H3/t9?,10-/m1/s1
InChIKeyVAPDVJKSFXHBRJ-QVDQXJPCSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-tert-butyl-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

(2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylic acid
CID 66906808
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 83488189
tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 83487199
tert-butyl 3-amino-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 82381493
tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 131017793
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
tert-butyl (2S,3S)-3-hydroxy-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 57194245
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate (CID 141408169) is tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)[C@@H]1C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is VAPDVJKSFXHBRJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)10-9(15)7-8-14(10)11(16)17-13(4,5)6/h9-10,15H,7-8H2,1-6H3/t9?,10-/m1/s1.
What are the key properties of tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 141408169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).