(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C12H16N2O4 — CID 61317213

IUPAC(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OC1CCOC1=O
InChIInChI=1S/C12H16N2O4/c1-7(2)14-6-8(13)5-9(14)11(15)18-10-3-4-17-12(10)16/h5-7,10H,3-4,13H2,1-2H3
InChIKeyOWNSMPLGCOLLHE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.12
Rot. Bonds3

About (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate

(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 61317213) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID61317213
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OC1CCOC1=O
InChIInChI=1S/C12H16N2O4/c1-7(2)14-6-8(13)5-9(14)11(15)18-10-3-4-17-12(10)16/h5-7,10H,3-4,13H2,1-2H3
InChIKeyOWNSMPLGCOLLHE-UHFFFAOYSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 61317213) is (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CC(C)n1cc(N)cc1C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is OWNSMPLGCOLLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(2)14-6-8(13)5-9(14)11(15)18-10-3-4-17-12(10)16/h5-7,10H,3-4,13H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 61317213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).