3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid

C13H24N2O4 — CID 62853315

IUPAC3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-4-14(9-10(2)13(17)18)11(3)12(16)15-5-7-19-8-6-15/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeySZQFVIOEMLCJGE-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.28
Rot. Bonds6

About 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid

3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 62853315) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
PubChem CID62853315
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-4-14(9-10(2)13(17)18)11(3)12(16)15-5-7-19-8-6-15/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeySZQFVIOEMLCJGE-UHFFFAOYSA-N
XLogP0.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid (CID 62853315) is 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is SZQFVIOEMLCJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-14(9-10(2)13(17)18)11(3)12(16)15-5-7-19-8-6-15/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid?
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).