tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate

C15H26N2O5 — CID 122152359

IUPACtert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC(O)(CO)C1
InChIInChI=1S/C15H26N2O5/c1-14(2,3)22-13(20)17-8-5-11(17)12(19)16-7-4-6-15(21,9-16)10-18/h11,18,21H,4-10H2,1-3H3/t11-,15?/m1/s1
InChIKeyWCXYUGQLIFDFMD-ZRKZCGFPSA-N
MW314.38 g/mol
LogP0.34
Rot. Bonds2

About tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate (PubChem CID 122152359) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate
PubChem CID122152359
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC(O)(CO)C1
InChIInChI=1S/C15H26N2O5/c1-14(2,3)22-13(20)17-8-5-11(17)12(19)16-7-4-6-15(21,9-16)10-18/h11,18,21H,4-10H2,1-3H3/t11-,15?/m1/s1
InChIKeyWCXYUGQLIFDFMD-ZRKZCGFPSA-N
XLogP0.34
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444524
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
CID 175527976
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
CID 139534275
tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate
CID 126816753
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
tert-butyl (2R)-2-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]pyrrolidine-1-carboxylate
CID 7001870
tert-butyl 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxylate
CID 3622114

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate (CID 122152359) is tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC(O)(CO)C1.
What is the InChIKey of tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate?
The InChIKey is WCXYUGQLIFDFMD-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-14(2,3)22-13(20)17-8-5-11(17)12(19)16-7-4-6-15(21,9-16)10-18/h11,18,21H,4-10H2,1-3H3/t11-,15?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate is sourced from PubChem (CID 122152359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).