1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid

C16H28N2O6 — CID 1268225

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)17-16(11(19)20)7-9-18(10-8-16)13(22)24-15(4,5)6/h7-10H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyAFEAWYLBSVKOAY-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.37
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid (PubChem CID 1268225) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
PubChem CID1268225
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)17-16(11(19)20)7-9-18(10-8-16)13(22)24-15(4,5)6/h7-10H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyAFEAWYLBSVKOAY-UHFFFAOYSA-N
XLogP2.37
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid with MolForge

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Related Compounds

4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
CID 693797
4-[(tert-Butoxycarbonyl)amino]piperidine-4-carboxylic acid
CID 1268236
Methyl 4-(((1,1-dimethylethoxy)carbonyl)amino)-4-piperidinecarboxylate
CID 14537079
4-(4-(((Tert-butoxy)carbonyl)amino)piperidin-1-yl)butanoic acid
CID 75430890
1-[(Tert-butoxy)carbonyl]-4-(dimethylamino)piperidine-4-carboxylic acid
CID 84809859
Methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate, trifluoroacetic acid
CID 170913121
Ethyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate
CID 59152330
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 69806857
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170607256
4-(3,3-Difluoropiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 175969559
4-[(2-Methylpropan-2-yl)oxycarbonylamino]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
CID 177032527
N-({1-[N-(tert-butoxycarbonyl)-L-valyl]piperidin-4-yl}carbonyl)-L-valine
CID 7091528

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid (CID 1268225) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The InChIKey is AFEAWYLBSVKOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)17-16(11(19)20)7-9-18(10-8-16)13(22)24-15(4,5)6/h7-10H2,1-6H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid is sourced from PubChem (CID 1268225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).