5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid

C13H25N3O4 — CID 114400913

IUPAC5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCN1CCOC(CNC(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-2-16-7-8-20-11(10-16)9-15-13(19)14-6-4-3-5-12(17)18/h11H,2-10H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyOZXQXGORWZXBBA-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.26
Rot. Bonds8

About 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid

5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 114400913) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID114400913
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCN1CCOC(CNC(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-2-16-7-8-20-11(10-16)9-15-13(19)14-6-4-3-5-12(17)18/h11H,2-10H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyOZXQXGORWZXBBA-UHFFFAOYSA-N
XLogP0.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 114400938
3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
CID 114400933
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927
6-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
CID 79165758
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191606
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
CID 114399539

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid (CID 114400913) is 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid is CCN1CCOC(CNC(=O)NCCCCC(=O)O)C1.
What is the InChIKey of 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is OZXQXGORWZXBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-2-16-7-8-20-11(10-16)9-15-13(19)14-6-4-3-5-12(17)18/h11H,2-10H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 114400913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).