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

C12H22N2O4 — CID 71089163

IUPAC4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CN)(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-8,13H2,1-3H3,(H,15,16)
InChIKeySGBYRPSBHDZIED-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.05
Rot. Bonds2

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

4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 71089163) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID71089163
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CN)(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-8,13H2,1-3H3,(H,15,16)
InChIKeySGBYRPSBHDZIED-UHFFFAOYSA-N
XLogP1.05
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
1-((Tert-butoxy)carbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 17983139
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-((Tert-butoxy)carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 46318385
N-Boc-4-cyanopiperidine-4-carboxylic acid
CID 57750275
1-[(Tert-butoxy)carbonyl]-4-(prop-2-yn-1-yl)piperidine-4-carboxylic acid
CID 79420903
1-[(Tert-butoxy)carbonyl]-3,3-dimethylpiperidine-4-carboxylic acid
CID 84709133
1-((Tert-butoxy)carbonyl)-4-(difluoromethyl)piperidine-4-carboxylic acid
CID 84811550
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate
CID 117100495

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 71089163) is 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CN)(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is SGBYRPSBHDZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-8,13H2,1-3H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 71089163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).