tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate

C15H27NO3 — CID 113330972

IUPACtert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1CCC1CCCO1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(17)13-7-4-9-16(13)10-8-12-6-5-11-18-12/h12-13H,4-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyTWVONOILOSBYQI-ABLWVSNPSA-N
MW269.38 g/mol
LogP2.36
Rot. Bonds4

About tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate (PubChem CID 113330972) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate
PubChem CID113330972
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1CCC1CCCO1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(17)13-7-4-9-16(13)10-8-12-6-5-11-18-12/h12-13H,4-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyTWVONOILOSBYQI-ABLWVSNPSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2S)-1-(3-amino-3-oxopropyl)pyrrolidine-2-carboxylate
CID 81001922
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2R)-1-(2-cyanoethyl)pyrrolidine-2-carboxylate
CID 80709651
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800
tert-butyl (2S)-1-but-3-enylpyrrolidine-2-carboxylate
CID 81002810
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate (CID 113330972) is tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCCN1CCC1CCCO1.
What is the InChIKey of tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is TWVONOILOSBYQI-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)19-14(17)13-7-4-9-16(13)10-8-12-6-5-11-18-12/h12-13H,4-11H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 113330972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).