(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid

C13H22N2O5 — CID 104969896

IUPAC(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)CN(C(=O)N2CCC[C@@H]2C(=O)O)CC(CO)O1
InChIInChI=1S/C13H22N2O5/c1-13(2)8-14(6-9(7-16)20-13)12(19)15-5-3-4-10(15)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyXVNJIBRLHGTDNG-QVDQXJPCSA-N
MW286.33 g/mol
LogP0.13
Rot. Bonds2

About (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 104969896) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID104969896
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)CN(C(=O)N2CCC[C@@H]2C(=O)O)CC(CO)O1
InChIInChI=1S/C13H22N2O5/c1-13(2)8-14(6-9(7-16)20-13)12(19)15-5-3-4-10(15)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyXVNJIBRLHGTDNG-QVDQXJPCSA-N
XLogP0.13
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 102744917
1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63614728
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114778295
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 115535473
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 104969896) is (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid is CC1(C)CN(C(=O)N2CCC[C@@H]2C(=O)O)CC(CO)O1.
What is the InChIKey of (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XVNJIBRLHGTDNG-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2)8-14(6-9(7-16)20-13)12(19)15-5-3-4-10(15)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,17,18)/t9?,10-/m1/s1.
What are the key properties of (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104969896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).