2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid

C12H20N2O5 — CID 18616078

IUPAC2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C12H20N2O5/c1-7(10(16)17)14-6-5-8(9(14)15)13-11(18)19-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyHVILAGZPQDDRKH-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds3

About 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid (PubChem CID 18616078) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
PubChem CID18616078
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C12H20N2O5/c1-7(10(16)17)14-6-5-8(9(14)15)13-11(18)19-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyHVILAGZPQDDRKH-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-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid (CID 18616078) is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid is CC(C(=O)O)N1CCC(NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
The InChIKey is HVILAGZPQDDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7(10(16)17)14-6-5-8(9(14)15)13-11(18)19-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-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-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 18616078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).