2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid

C12H20N2O5 — CID 123950933

IUPAC2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid
SMILESCOC(=O)NC1CCC(C)(C)N(C(C)C(=O)O)C1=O
InChIInChI=1S/C12H20N2O5/c1-7(10(16)17)14-9(15)8(13-11(18)19-4)5-6-12(14,2)3/h7-8H,5-6H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyJLMRCUDKOXEXTF-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds3

About 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid

2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid (PubChem CID 123950933) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid
PubChem CID123950933
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid
SMILESCOC(=O)NC1CCC(C)(C)N(C(C)C(=O)O)C1=O
InChIInChI=1S/C12H20N2O5/c1-7(10(16)17)14-9(15)8(13-11(18)19-4)5-6-12(14,2)3/h7-8H,5-6H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyJLMRCUDKOXEXTF-UHFFFAOYSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid?
The IUPAC name of 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid (CID 123950933) is 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid is COC(=O)NC1CCC(C)(C)N(C(C)C(=O)O)C1=O.
What is the InChIKey of 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid?
The InChIKey is JLMRCUDKOXEXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7(10(16)17)14-9(15)8(13-11(18)19-4)5-6-12(14,2)3/h7-8H,5-6H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid?
2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid is sourced from PubChem (CID 123950933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).