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

C14H26N2O3 — CID 63054483

IUPAC2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid
SMILESCCC1COC(C)CN1CCC(NC1CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-12-9-19-10(2)8-16(12)7-6-13(14(17)18)15-11-4-5-11/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeySMMKDTAIXYKDCY-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds7

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

2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid (PubChem CID 63054483) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid
PubChem CID63054483
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid
SMILESCCC1COC(C)CN1CCC(NC1CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-12-9-19-10(2)8-16(12)7-6-13(14(17)18)15-11-4-5-11/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeySMMKDTAIXYKDCY-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid (CID 63054483) is 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid is CCC1COC(C)CN1CCC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid?
The InChIKey is SMMKDTAIXYKDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-12-9-19-10(2)8-16(12)7-6-13(14(17)18)15-11-4-5-11/h10-13,15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid?
2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(5-ethyl-2-methylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 63054483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).