tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate

C15H28N2O3 — CID 129463098

IUPACtert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@@H](CCO)C2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-8-5-13(11-17)16-7-4-12(10-16)6-9-18/h12-13,18H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyMYACVXPGFGZZNB-QWHCGFSZSA-N
MW284.40 g/mol
LogP1.70
Rot. Bonds3

About tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate (PubChem CID 129463098) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
PubChem CID129463098
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@@H](CCO)C2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-8-5-13(11-17)16-7-4-12(10-16)6-9-18/h12-13,18H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyMYACVXPGFGZZNB-QWHCGFSZSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 22940599
tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 34178457
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647
tert-butyl 3-[(3R)-3-aminopyrrolidin-1-yl]azetidine-1-carboxylate
CID 130748145
tert-butyl (3S,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131734058
tert-butyl (3R,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170554641
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
CID 123619361

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate (CID 129463098) is tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@@H](CCO)C2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate?
The InChIKey is MYACVXPGFGZZNB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-8-5-13(11-17)16-7-4-12(10-16)6-9-18/h12-13,18H,4-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 129463098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).