4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid

C10H18N2O4 — CID 61188876

IUPAC4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C10H18N2O4/c1-8-7-12(5-6-16-8)10(15)11-4-2-3-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyXUVLXOUPLBUGEZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

About 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid

4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 61188876) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID61188876
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C10H18N2O4/c1-8-7-12(5-6-16-8)10(15)11-4-2-3-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyXUVLXOUPLBUGEZ-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid (CID 61188876) is 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid is CC1CN(C(=O)NCCCC(=O)O)CCO1.
What is the InChIKey of 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is XUVLXOUPLBUGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8-7-12(5-6-16-8)10(15)11-4-2-3-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61188876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).