benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate

C17H23NO4 — CID 71619529

IUPACbenzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate
SMILESCC1C(=O)[C@H](C(C)C)N(C(=O)OCc2ccccc2)CC1O
InChIInChI=1S/C17H23NO4/c1-11(2)15-16(20)12(3)14(19)9-18(15)17(21)22-10-13-7-5-4-6-8-13/h4-8,11-12,14-15,19H,9-10H2,1-3H3/t12?,14?,15-/m0/s1
InChIKeyDCRRLHPLAPESJL-ZALBZXLWSA-N
MW305.37 g/mol
LogP2.23
Rot. Bonds3

About benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate

benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate (PubChem CID 71619529) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate
PubChem CID71619529
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namebenzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate
SMILESCC1C(=O)[C@H](C(C)C)N(C(=O)OCc2ccccc2)CC1O
InChIInChI=1S/C17H23NO4/c1-11(2)15-16(20)12(3)14(19)9-18(15)17(21)22-10-13-7-5-4-6-8-13/h4-8,11-12,14-15,19H,9-10H2,1-3H3/t12?,14?,15-/m0/s1
InChIKeyDCRRLHPLAPESJL-ZALBZXLWSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R,5R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 11521972
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 154193684
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 11737177
benzyl (1S,4S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 166058020
benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate
CID 132603778
benzyl 2-carboniodidoyl-4-hydroxypyrrolidine-1-carboxylate
CID 129035263
benzyl (2S,3S)-3-hydroxy-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 102455891
benzyl 3-(aminomethyl)-2-methylazetidine-1-carboxylate
CID 131028084
benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
CID 168975628

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate (CID 71619529) is benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate is CC1C(=O)[C@H](C(C)C)N(C(=O)OCc2ccccc2)CC1O.
What is the InChIKey of benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is DCRRLHPLAPESJL-ZALBZXLWSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(2)15-16(20)12(3)14(19)9-18(15)17(21)22-10-13-7-5-4-6-8-13/h4-8,11-12,14-15,19H,9-10H2,1-3H3/t12?,14?,15-/m0/s1.
What are the key properties of benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate?
benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 71619529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).