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

C14H25N3O4 — CID 66433529

IUPAC2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
SMILESCN(C)CC1CCCN1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-15(2)9-11-4-3-5-17(11)14(20)16-6-7-21-12(10-16)8-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyKYQWJAGDZYDYMV-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds4

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

2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 66433529) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
PubChem CID66433529
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
SMILESCN(C)CC1CCCN1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-15(2)9-11-4-3-5-17(11)14(20)16-6-7-21-12(10-16)8-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyKYQWJAGDZYDYMV-UHFFFAOYSA-N
XLogP0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
CID 62890255
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
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-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 115535473
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid (CID 66433529) is 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid is CN(C)CC1CCCN1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is KYQWJAGDZYDYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-15(2)9-11-4-3-5-17(11)14(20)16-6-7-21-12(10-16)8-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).