(2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

C12H19NO5 — CID 52987767

IUPAC(2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO5/c1-5-12(9(15)16)7-6-8(14)13(12)10(17)18-11(2,3)4/h5-7H2,1-4H3,(H,15,16)/t12-/m1/s1
InChIKeyMAESTVLMFHKAIW-GFCCVEGCSA-N
MW257.29 g/mol
LogP1.78
Rot. Bonds2

About (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

(2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 52987767) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID52987767
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO5/c1-5-12(9(15)16)7-6-8(14)13(12)10(17)18-11(2,3)4/h5-7H2,1-4H3,(H,15,16)/t12-/m1/s1
InChIKeyMAESTVLMFHKAIW-GFCCVEGCSA-N
XLogP1.78
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (CID 52987767) is (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is CC[C@]1(C(=O)O)CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is MAESTVLMFHKAIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO5/c1-5-12(9(15)16)7-6-8(14)13(12)10(17)18-11(2,3)4/h5-7H2,1-4H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
(2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 52987767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).