propan-2-yl (2R)-6-oxopiperidine-2-carboxylate

C9H15NO3 — CID 131042024

IUPACpropan-2-yl (2R)-6-oxopiperidine-2-carboxylate
SMILESCC(C)OC(=O)[C@H]1CCCC(=O)N1
InChIInChI=1S/C9H15NO3/c1-6(2)13-9(12)7-4-3-5-8(11)10-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyNGFUKFSHSRFPJM-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds2

About propan-2-yl (2R)-6-oxopiperidine-2-carboxylate

propan-2-yl (2R)-6-oxopiperidine-2-carboxylate (PubChem CID 131042024) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is propan-2-yl (2R)-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-6-oxopiperidine-2-carboxylate
PubChem CID131042024
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namepropan-2-yl (2R)-6-oxopiperidine-2-carboxylate
SMILESCC(C)OC(=O)[C@H]1CCCC(=O)N1
InChIInChI=1S/C9H15NO3/c1-6(2)13-9(12)7-4-3-5-8(11)10-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyNGFUKFSHSRFPJM-SSDOTTSWSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-6-oxopiperidine-2-carboxylate;(2S)-6-oxopiperidine-2-carboxylic acid
CID 157328179
[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 162899358
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid
CID 22789944
2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate
CID 160976351
(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839952
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
nonan-2-yl 5-oxopyrrolidine-2-carboxylate
CID 19939356
(2R)-6-oxo-N-prop-2-enylpiperidine-2-carboxamide
CID 131089266
prop-2-enyl 5-oxopyrrolidine-2-carboxylate
CID 14038126
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-6-oxopiperidine-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-6-oxopiperidine-2-carboxylate (CID 131042024) is propan-2-yl (2R)-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-6-oxopiperidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-6-oxopiperidine-2-carboxylate is CC(C)OC(=O)[C@H]1CCCC(=O)N1.
What is the InChIKey of propan-2-yl (2R)-6-oxopiperidine-2-carboxylate?
The InChIKey is NGFUKFSHSRFPJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)13-9(12)7-4-3-5-8(11)10-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of propan-2-yl (2R)-6-oxopiperidine-2-carboxylate?
propan-2-yl (2R)-6-oxopiperidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 131042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).