tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate

C14H25NO3 — CID 139635911

IUPACtert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
SMILESCCCC(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-8-12(16)15-10-7-6-9-11(15)13(17)18-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyQTQYVFDTZBLQAZ-NSHDSACASA-N
MW255.36 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate

tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate (PubChem CID 139635911) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
PubChem CID139635911
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
SMILESCCCC(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-8-12(16)15-10-7-6-9-11(15)13(17)18-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyQTQYVFDTZBLQAZ-NSHDSACASA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 76532364
tert-butyl (2S)-2-butanoylpiperidine-1-carboxylate
CID 165464367
tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate
CID 54275952
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
tert-butyl (2R)-1-[2-[acetyl(methyl)amino]acetyl]pyrrolidine-2-carboxylate
CID 81002030
tert-butyl (2R)-1-[3-(2,2-difluoroethoxy)propanoyl]pyrrolidine-2-carboxylate
CID 103209836
2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 67523029

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate (CID 139635911) is tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate is CCCC(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate?
The InChIKey is QTQYVFDTZBLQAZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-8-12(16)15-10-7-6-9-11(15)13(17)18-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate?
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate is sourced from PubChem (CID 139635911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).