(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

C13H24N2O4 — CID 163232065

IUPAC(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC1CC(NC(=O)OC(C)(C)C)C[C@@H](C(=O)O)N1C
InChIInChI=1S/C13H24N2O4/c1-8-6-9(7-10(11(16)17)15(8)5)14-12(18)19-13(2,3)4/h8-10H,6-7H2,1-5H3,(H,14,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyAGYFXKPCCUGDOD-RTBKNWGFSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds2

About (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (PubChem CID 163232065) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
PubChem CID163232065
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC1CC(NC(=O)OC(C)(C)C)C[C@@H](C(=O)O)N1C
InChIInChI=1S/C13H24N2O4/c1-8-6-9(7-10(11(16)17)15(8)5)14-12(18)19-13(2,3)4/h8-10H,6-7H2,1-5H3,(H,14,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyAGYFXKPCCUGDOD-RTBKNWGFSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1,2-dicarboxylic acid
CID 139415640
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate
CID 103785646
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332

Frequently Asked Questions

What is the IUPAC name of (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (CID 163232065) is (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is CC1CC(NC(=O)OC(C)(C)C)C[C@@H](C(=O)O)N1C.
What is the InChIKey of (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The InChIKey is AGYFXKPCCUGDOD-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8-6-9(7-10(11(16)17)15(8)5)14-12(18)19-13(2,3)4/h8-10H,6-7H2,1-5H3,(H,14,18)(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is sourced from PubChem (CID 163232065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).