2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid

C12H23N3O4 — CID 66435216

IUPAC2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCN(C)CCCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H23N3O4/c1-14(2)5-3-4-13-12(18)15-6-7-19-10(9-15)8-11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyAVTARXXNHWRRIN-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.18
Rot. Bonds6

About 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid

2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66435216) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
PubChem CID66435216
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCN(C)CCCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H23N3O4/c1-14(2)5-3-4-13-12(18)15-6-7-19-10(9-15)8-11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyAVTARXXNHWRRIN-UHFFFAOYSA-N
XLogP-0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 106340298
2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 102995442
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434839
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-(2-prop-2-ynylsulfanylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 114187992
2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid (CID 66435216) is 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid is CN(C)CCCNC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is AVTARXXNHWRRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-14(2)5-3-4-13-12(18)15-6-7-19-10(9-15)8-11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).