4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid

C13H25N3O4 — CID 43168497

IUPAC4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O4/c1-15(6-2-4-12(17)18)13(19)14-5-3-7-16-8-10-20-11-9-16/h2-11H2,1H3,(H,14,19)(H,17,18)
InChIKeyBEAAIFOWSQNOQE-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.21
Rot. Bonds8

About 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid

4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid (PubChem CID 43168497) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid
PubChem CID43168497
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O4/c1-15(6-2-4-12(17)18)13(19)14-5-3-7-16-8-10-20-11-9-16/h2-11H2,1H3,(H,14,19)(H,17,18)
InChIKeyBEAAIFOWSQNOQE-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.21
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

4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
CID 55260125
4-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
CID 63834772
4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl-methylamino]butanoic acid
CID 105918884
4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl-propan-2-ylamino]butanoic acid
CID 105919225
4-[[2,2-Difluoroethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 122021248
4-[[2,2,6-Trimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021975
4-[[2,2-Dimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021999
4-{[3-(Morpholin-4-yl)propyl]amino}-4-oxobutanoic acid
CID 3567369
4-Amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid
CID 18917999
1-[2-(2,2-Dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 20761262
Ethyl 4-acetamido-4-morpholin-4-ylbutanoate
CID 22069192
2-(Morpholine-4-carbonylamino)pentanoic acid
CID 22721634

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid (CID 43168497) is 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid?
The InChIKey is BEAAIFOWSQNOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-15(6-2-4-12(17)18)13(19)14-5-3-7-16-8-10-20-11-9-16/h2-11H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid?
4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 43168497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).