4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

C11H20N2O4 — CID 45043169

IUPAC4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-4-8(12)7(6-13)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyGRWVAUGJTCEIBI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.66
Rot. Bonds1

About 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 45043169) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID45043169
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-4-8(12)7(6-13)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyGRWVAUGJTCEIBI-UHFFFAOYSA-N
XLogP0.66
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 45043169) is 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N)C(C(=O)O)C1.
What is the InChIKey of 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is GRWVAUGJTCEIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-4-8(12)7(6-13)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 45043169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).