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

C17H30N2O6 — CID 59322355

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O6/c1-15(2,3)24-13(22)18-11-17(12(20)21)7-9-19(10-8-17)14(23)25-16(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,20,21)
InChIKeyBWZFEBYPTUQIKX-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.61
Rot. Bonds3

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

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid (PubChem CID 59322355) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid
PubChem CID59322355
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O6/c1-15(2,3)24-13(22)18-11-17(12(20)21)7-9-19(10-8-17)14(23)25-16(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,20,21)
InChIKeyBWZFEBYPTUQIKX-UHFFFAOYSA-N
XLogP2.61
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
1,4-Di-tert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 21948349
1-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
1-tert-Butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 25418822
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate
CID 117100495
1-[(Tert-butoxy)carbonyl]-3-({[(tert-butoxy)carbonyl]amino}methyl)pyrrolidine-3-carboxylic acid
CID 129949265
1-(2-{[(Tert-butoxy)carbonyl]amino}ethyl)piperidine-4-carboxylic acid
CID 137945166
1-(3-{[(Tert-butoxy)carbonyl]amino}propanoyl)piperidine-4-carboxylic acid
CID 127108292
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate hydrochloride
CID 138039808
4-(2,2-Difluoropropylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 166454672
1-O-tert-butyl 4-O-deuterio 4-methylpiperidine-1,4-dicarboxylate
CID 164672795

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid (CID 59322355) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)NCC1(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]methyl]piperidine-4-carboxylic acid?
The InChIKey is BWZFEBYPTUQIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-15(2,3)24-13(22)18-11-17(12(20)21)7-9-19(10-8-17)14(23)25-16(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 2.61, 3 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]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 59322355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).