4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid

C12H22N2O4 — CID 43593155

IUPAC4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H22N2O4/c1-12(2)9-14(7-8-18-12)11(17)13(3)6-4-5-10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyTUDZHURUOUKWNI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds4

About 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid

4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid (PubChem CID 43593155) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid
PubChem CID43593155
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H22N2O4/c1-12(2)9-14(7-8-18-12)11(17)13(3)6-4-5-10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyTUDZHURUOUKWNI-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid (CID 43593155) is 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid?
The InChIKey is TUDZHURUOUKWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2)9-14(7-8-18-12)11(17)13(3)6-4-5-10(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid?
4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylmorpholine-4-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 43593155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).