2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid

C13H24N2O4 — CID 22309159

IUPAC2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-6-4-9(5-7-15)8-10(14)11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyJLCGFHQWQKGPIV-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid

2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid (PubChem CID 22309159) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
PubChem CID22309159
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-6-4-9(5-7-15)8-10(14)11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyJLCGFHQWQKGPIV-UHFFFAOYSA-N
XLogP1.44
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid (CID 22309159) is 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid is CC(C)(C)OC(=O)N1CCC(CC(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
The InChIKey is JLCGFHQWQKGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-6-4-9(5-7-15)8-10(14)11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 22309159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).