4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid

C13H26N2O3 — CID 130293812

IUPAC4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-13(2,5-4-12(16)17)14-6-3-7-15-8-10-18-11-9-15/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeyQKBWPIDZDNHDMD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds8

About 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid

4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid (PubChem CID 130293812) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid
PubChem CID130293812
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-13(2,5-4-12(16)17)14-6-3-7-15-8-10-18-11-9-15/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeyQKBWPIDZDNHDMD-UHFFFAOYSA-N
XLogP0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-4-(3-morpholin-4-ylpropylamino)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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid (CID 130293812) is 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid is CC(C)(CCC(=O)O)NCCCN1CCOCC1.
What is the InChIKey of 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid?
The InChIKey is QKBWPIDZDNHDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,5-4-12(16)17)14-6-3-7-15-8-10-18-11-9-15/h14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid?
4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid is sourced from PubChem (CID 130293812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).