tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate

C16H29NO5 — CID 11723231

IUPACtert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)[C@@H](CCCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO5/c1-16(2,3)22-15(20)17-10-6-5-9-13(17)12(8-7-11-18)14(19)21-4/h12-13,18H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyJKRBVWIVSZHHFY-STQMWFEESA-N
MW315.41 g/mol
LogP2.34
Rot. Bonds5

About tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate (PubChem CID 11723231) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate
PubChem CID11723231
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nametert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)[C@@H](CCCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO5/c1-16(2,3)22-15(20)17-10-6-5-9-13(17)12(8-7-11-18)14(19)21-4/h12-13,18H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyJKRBVWIVSZHHFY-STQMWFEESA-N
XLogP2.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

t-Butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate
CID 114451414
tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate
CID 134949805
Tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate
CID 68901706
1-O-tert-butyl 3-O-methyl 6-(1-hydroxyethyl)piperidine-1,3-dicarboxylate
CID 69004008
2-(2-Butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid
CID 70272502
1-Tert-butyl 3-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate
CID 86727782
tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
CID 90328284
(3R,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid
CID 118368151
1-[(2-Methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid
CID 118368152
(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid
CID 118368153
(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-octylpiperidine-3-carboxylic acid
CID 118374846
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-octylpiperidine-3-carboxylic acid
CID 118374863

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate (CID 11723231) is tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate is COC(=O)[C@@H](CCCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate?
The InChIKey is JKRBVWIVSZHHFY-STQMWFEESA-N. The full InChI is InChI=1S/C16H29NO5/c1-16(2,3)22-15(20)17-10-6-5-9-13(17)12(8-7-11-18)14(19)21-4/h12-13,18H,5-11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11723231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).