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

C11H20N2O4 — CID 43151946

IUPAC4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)N(C)CCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-9-8-13(6-7-17-9)11(16)12(2)5-3-4-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyLMRURXDYLDZWAB-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.62
Rot. Bonds4

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

4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 43151946) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID43151946
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)N(C)CCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-9-8-13(6-7-17-9)11(16)12(2)5-3-4-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyLMRURXDYLDZWAB-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-Dimethylmorpholin-4-yl)-4-oxobutanoic acid
CID 6466368
2-[4-[Methyl(3,3,3-trifluoropropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433547
2-[4-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433718
2-[4-[Propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433912
2-[4-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433913
2-[4-[Methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435431
2-[4-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 107481685
2-[4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 107481923
2-[4-[2,2-Difluoroethyl(methyl)carbamoyl]morpholin-2-yl]acetic acid
CID 113502877
2-[5,5-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 166290720
4-(2-Methylmorpholin-4-yl)butanoic acid
CID 43120527
4-(2-Ethylmorpholin-4-yl)butanoic acid
CID 43562864

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid (CID 43151946) is 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid is CC1CN(C(=O)N(C)CCCC(=O)O)CCO1.
What is the InChIKey of 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is LMRURXDYLDZWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9-8-13(6-7-17-9)11(16)12(2)5-3-4-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid?
4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43151946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).