(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate

C12H20NO4- — CID 27281685

IUPAC(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)[O-]
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-5-7-12(13,4)9(14)15/h5-8H2,1-4H3,(H,14,15)/p-1/t12-/m0/s1
InChIKeyBDAXXVZMKUJADB-LBPRGKRZSA-M
MW242.29 g/mol
LogP0.92
Rot. Bonds1

About (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate

(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate (PubChem CID 27281685) has the molecular formula C12H20NO4- and a molecular weight of 242.29 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
PubChem CID27281685
Molecular FormulaC12H20NO4-
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)[O-]
InChIInChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-5-7-12(13,4)9(14)15/h5-8H2,1-4H3,(H,14,15)/p-1/t12-/m0/s1
InChIKeyBDAXXVZMKUJADB-LBPRGKRZSA-M
XLogP0.92
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808
tert-butyl (2S)-2-methyl-2-(3,3,3-trifluoropropanoyl)pyrrolidine-1-carboxylate
CID 177311829
tert-butyl (2R)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-2-methylpyrrolidine-1-carboxylate
CID 155007259
2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 115048061
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate
CID 71741473
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 175733208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate?
The IUPAC name of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate (CID 27281685) is (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate.
What is the SMILES notation for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate?
The canonical SMILES for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)[O-].
What is the InChIKey of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate?
The InChIKey is BDAXXVZMKUJADB-LBPRGKRZSA-M. The full InChI is InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-5-7-12(13,4)9(14)15/h5-8H2,1-4H3,(H,14,15)/p-1/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate?
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate has a molecular weight of 242.29 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 27281685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).