(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C11H19NO4 — CID 54499637

IUPAC(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyYBNLSZYGMLNWCZ-QMMMGPOBSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds3

About (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 54499637) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID54499637
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyYBNLSZYGMLNWCZ-QMMMGPOBSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 ≤ 104

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Related Compounds

N-Methyl-L-proline
CID 643474
N,N-Dimethylproline
CID 448301
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
CID 85083
1-Methylpyrrolidine-2-carboxylic acid
CID 557
(2S,4S)-1-((tert-butoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 2756017
1-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 268472
(2R)-1-methylpyrrolidine-2-carboxylic acid
CID 854034
tert-butyl (2S)-1-cyanopyrrolidine-2-carboxylate
CID 44398742
1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 394147
(2R)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 688022
Ethyl (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylate
CID 10942897
(2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 11206950

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 54499637) is (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)CN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YBNLSZYGMLNWCZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54499637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).