tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate

C15H29NO3 — CID 10199348

IUPACtert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
SMILESCC(C)C[C@H]1[C@@H](O)[C@@H](C)[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-9(2)8-12-13(17)10(3)11(4)16(12)14(18)19-15(5,6)7/h9-13,17H,8H2,1-7H3/t10-,11-,12-,13-/m0/s1
InChIKeyDCRJYOYBXFBHRD-CYDGBPFRSA-N
MW271.40 g/mol
LogP3.04
Rot. Bonds2

About tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate

tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate (PubChem CID 10199348) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
PubChem CID10199348
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
SMILESCC(C)C[C@H]1[C@@H](O)[C@@H](C)[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-9(2)8-12-13(17)10(3)11(4)16(12)14(18)19-15(5,6)7/h9-13,17H,8H2,1-7H3/t10-,11-,12-,13-/m0/s1
InChIKeyDCRJYOYBXFBHRD-CYDGBPFRSA-N
XLogP3.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 11008972
tert-Butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 14117009
tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 14117010
Tert-butyl 4-hydroxy-2-(propan-2-yl)pyrrolidine-1-carboxylate
CID 23589003
tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 56846373
1,1-Dimethylethyl (2R,4S)-4-hydroxy-2-methyl-1-pyrrolidinecarboxylate
CID 60010001
Tert-butyl 2-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 82393813
Tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
CID 115268996
Tert-butyl 4-hydroxy-1-azaspiro(4.4)nonane-1-carboxylate
CID 121552731
Tert-butyl 2-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
CID 124249119
rac-tert-butyl (3R,4S)-3-hydroxy-4-(propan-2-yl)pyrrolidine-1-carboxylate
CID 131547096
Tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
CID 155937669

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate (CID 10199348) is tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate is CC(C)C[C@H]1[C@@H](O)[C@@H](C)[C@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
The InChIKey is DCRJYOYBXFBHRD-CYDGBPFRSA-N. The full InChI is InChI=1S/C15H29NO3/c1-9(2)8-12-13(17)10(3)11(4)16(12)14(18)19-15(5,6)7/h9-13,17H,8H2,1-7H3/t10-,11-,12-,13-/m0/s1.
What are the key properties of tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10199348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).