4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid

C13H23N3O4 — CID 62890255

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-14(2)8-10-4-3-5-16(10)13(19)15-6-7-20-11(9-15)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyOGDKUAGMUWIVJW-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.08
Rot. Bonds3

About 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid

4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid (PubChem CID 62890255) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
PubChem CID62890255
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-14(2)8-10-4-3-5-16(10)13(19)15-6-7-20-11(9-15)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyOGDKUAGMUWIVJW-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid (CID 62890255) is 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid is CN(C)CC1CCCN1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is OGDKUAGMUWIVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-14(2)8-10-4-3-5-16(10)13(19)15-6-7-20-11(9-15)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic 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 4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 62890255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).