tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate

C15H25NO6 — CID 10829131

IUPACtert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1[C@@H](O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H25NO6/c1-14(2,3)22-13(19)16-9(6-7-11(16)17)12(18)10-8-20-15(4,5)21-10/h9-10,12,18H,6-8H2,1-5H3/t9-,10-,12+/m0/s1
InChIKeyBNRQRPVBLFQZOK-JBLDHEPKSA-N
MW315.37 g/mol
LogP1.42
Rot. Bonds2

About tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 10829131) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID10829131
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Nametert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1[C@@H](O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H25NO6/c1-14(2,3)22-13(19)16-9(6-7-11(16)17)12(18)10-8-20-15(4,5)21-10/h9-10,12,18H,6-8H2,1-5H3/t9-,10-,12+/m0/s1
InChIKeyBNRQRPVBLFQZOK-JBLDHEPKSA-N
XLogP1.42
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10741255
tert-butyl (2S)-2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-5-oxopyrrolidine-1-carboxylate
CID 122389745
tert-butyl (2R)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate
CID 9985422
tert-butyl (2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10765038
(5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one
CID 11722400
tert-butyl (2R)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 11725110
tert-butyl (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 23256025
tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate
CID 23314930

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate (CID 10829131) is tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1[C@@H](O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is BNRQRPVBLFQZOK-JBLDHEPKSA-N. The full InChI is InChI=1S/C15H25NO6/c1-14(2,3)22-13(19)16-9(6-7-11(16)17)12(18)10-8-20-15(4,5)21-10/h9-10,12,18H,6-8H2,1-5H3/t9-,10-,12+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10829131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).