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

C12H20N2O5 — CID 70331152

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-8(10(16)17)6-7-4-5-13-9(7)15/h7-8H,4-6H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyRWCCIYJJIFJDQO-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.49
Rot. Bonds4

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

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid (PubChem CID 70331152) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
PubChem CID70331152
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-8(10(16)17)6-7-4-5-13-9(7)15/h7-8H,4-6H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyRWCCIYJJIFJDQO-UHFFFAOYSA-N
XLogP0.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid (CID 70331152) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid is CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The InChIKey is RWCCIYJJIFJDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-8(10(16)17)6-7-4-5-13-9(7)15/h7-8H,4-6H2,1-3H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid is sourced from PubChem (CID 70331152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).