2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid

C13H23N3O4 — CID 66434691

IUPAC2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
SMILESCN(C)C1CCN(C(=O)N2CCOC(CC(=O)O)C2)C1
InChIInChI=1S/C13H23N3O4/c1-14(2)10-3-4-15(8-10)13(19)16-5-6-20-11(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyFHOXRBDEYIKEJL-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.08
Rot. Bonds3

About 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid

2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 66434691) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
PubChem CID66434691
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
SMILESCN(C)C1CCN(C(=O)N2CCOC(CC(=O)O)C2)C1
InChIInChI=1S/C13H23N3O4/c1-14(2)10-3-4-15(8-10)13(19)16-5-6-20-11(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyFHOXRBDEYIKEJL-UHFFFAOYSA-N
XLogP-0.08
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66433529
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
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-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433532
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid (CID 66434691) is 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid is CN(C)C1CCN(C(=O)N2CCOC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is FHOXRBDEYIKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-14(2)10-3-4-15(8-10)13(19)16-5-6-20-11(9-16)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).