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

C11H19NO4 — CID 112590083

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OCCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-7-6-12-8(10(14)15)4-5-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyJRKLPCINUVXCNG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds4

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

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 112590083) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID112590083
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OCCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-7-6-12-8(10(14)15)4-5-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyJRKLPCINUVXCNG-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108
5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
CID 104808350
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 91595253
1-(3-cyanopropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873820
1-(2-butylsulfanylethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 19370197
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107043962
5-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,5-diazacycloundecane-6-carboxylic acid
CID 110200326

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid (CID 112590083) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid is CC(C)(C)OCCN1C(=O)CCC1C(=O)O.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is JRKLPCINUVXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-7-6-12-8(10(14)15)4-5-9(12)13/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112590083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).