2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid

C13H22N2O6 — CID 103536464

IUPAC2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
SMILESCOC1CN(C(=O)N2CCOC(CC(=O)O)C2)CC1OC
InChIInChI=1S/C13H22N2O6/c1-19-10-7-15(8-11(10)20-2)13(18)14-3-4-21-9(6-14)5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyNHCFGBZHYJLCHU-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.37
Rot. Bonds4

About 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid

2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 103536464) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
PubChem CID103536464
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
SMILESCOC1CN(C(=O)N2CCOC(CC(=O)O)C2)CC1OC
InChIInChI=1S/C13H22N2O6/c1-19-10-7-15(8-11(10)20-2)13(18)14-3-4-21-9(6-14)5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyNHCFGBZHYJLCHU-UHFFFAOYSA-N
XLogP-0.37
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433532
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid (CID 103536464) is 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid is COC1CN(C(=O)N2CCOC(CC(=O)O)C2)CC1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is NHCFGBZHYJLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-19-10-7-15(8-11(10)20-2)13(18)14-3-4-21-9(6-14)5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 103536464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).