(2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid

C14H25N2O3- — CID 140606687

IUPAC(2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(C[C@@]2(C(=O)O)CCCN2)C(C)(C)N1[O-]
InChIInChI=1S/C14H25N2O3/c1-12(2)8-10(13(3,4)16(12)19)9-14(11(17)18)6-5-7-15-14/h10,15H,5-9H2,1-4H3,(H,17,18)/q-1/t10?,14-/m1/s1
InChIKeyLSQXTHNIQKAMPD-LNUXAPHWSA-N
MW269.36 g/mol
LogP1.96
Rot. Bonds3

About (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid

(2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 140606687) has the molecular formula C14H25N2O3- and a molecular weight of 269.36 g/mol. Its IUPAC name is (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID140606687
Molecular FormulaC14H25N2O3-
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name(2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(C[C@@]2(C(=O)O)CCCN2)C(C)(C)N1[O-]
InChIInChI=1S/C14H25N2O3/c1-12(2)8-10(13(3,4)16(12)19)9-14(11(17)18)6-5-7-15-14/h10,15H,5-9H2,1-4H3,(H,17,18)/q-1/t10?,14-/m1/s1
InChIKeyLSQXTHNIQKAMPD-LNUXAPHWSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 11997713
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312
2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 115103179
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117272111
2-[(E)-but-2-enyl]pyrrolidine-2-carboxylic acid
CID 115563173
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454936

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 140606687) is (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid is CC1(C)CC(C[C@@]2(C(=O)O)CCCN2)C(C)(C)N1[O-].
What is the InChIKey of (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LSQXTHNIQKAMPD-LNUXAPHWSA-N. The full InChI is InChI=1S/C14H25N2O3/c1-12(2)8-10(13(3,4)16(12)19)9-14(11(17)18)6-5-7-15-14/h10,15H,5-9H2,1-4H3,(H,17,18)/q-1/t10?,14-/m1/s1.
What are the key properties of (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
(2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140606687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).