1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid

C13H22N2O5 — CID 81204286

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H22N2O5/c1-8-7-20-10(6-16)5-15(8)13(19)14-4-3-11(9(14)2)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyNDDIQGUYKALOQC-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.02
Rot. Bonds2

About 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 81204286) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID81204286
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H22N2O5/c1-8-7-20-10(6-16)5-15(8)13(19)14-4-3-11(9(14)2)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyNDDIQGUYKALOQC-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 81204962
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]thiomorpholine-3-carboxylic acid
CID 82905850
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 81204512
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
CID 81198516
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383273
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid (CID 81204286) is 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid is CC1COC(CO)CN1C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NDDIQGUYKALOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-7-20-10(6-16)5-15(8)13(19)14-4-3-11(9(14)2)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81204286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).