4-(2-methylmorpholin-4-yl)butanoic acid

C9H17NO3 — CID 43120527

IUPAC4-(2-methylmorpholin-4-yl)butanoic acid
SMILESCC1CN(CCCC(=O)O)CCO1
InChIInChI=1S/C9H17NO3/c1-8-7-10(5-6-13-8)4-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNNKOQZHGQLICRF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

About 4-(2-methylmorpholin-4-yl)butanoic acid

4-(2-methylmorpholin-4-yl)butanoic acid (PubChem CID 43120527) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)butanoic acid
PubChem CID43120527
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(2-methylmorpholin-4-yl)butanoic acid
SMILESCC1CN(CCCC(=O)O)CCO1
InChIInChI=1S/C9H17NO3/c1-8-7-10(5-6-13-8)4-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNNKOQZHGQLICRF-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylmorpholin-4-yl)butanoic 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-(2-methylmorpholin-4-yl)butanoic acid?
The IUPAC name of 4-(2-methylmorpholin-4-yl)butanoic acid (CID 43120527) is 4-(2-methylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)butanoic acid is CC1CN(CCCC(=O)O)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)butanoic acid?
The InChIKey is NNKOQZHGQLICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8-7-10(5-6-13-8)4-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-(2-methylmorpholin-4-yl)butanoic acid?
4-(2-methylmorpholin-4-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 43120527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).