4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid

C12H24N2O3 — CID 63054307

IUPAC4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid
SMILESCCC1COC(C)CN1CCC(NC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-10-8-17-9(2)7-14(10)6-5-11(13-3)12(15)16/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyQLJUUQAJLVNKLI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds6

About 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid

4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid (PubChem CID 63054307) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid
PubChem CID63054307
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid
SMILESCCC1COC(C)CN1CCC(NC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-10-8-17-9(2)7-14(10)6-5-11(13-3)12(15)16/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyQLJUUQAJLVNKLI-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid
CID 63054483
5-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-ol
CID 62229159
3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406
2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid
CID 106806024
5-ethyl-4-(2-fluoroethyl)-2-methylmorpholine
CID 130685633
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564865
4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61425360
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 62628976
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63028463

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid (CID 63054307) is 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid is CCC1COC(C)CN1CCC(NC)C(=O)O.
What is the InChIKey of 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid?
The InChIKey is QLJUUQAJLVNKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-10-8-17-9(2)7-14(10)6-5-11(13-3)12(15)16/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid?
4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid is sourced from PubChem (CID 63054307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).