4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid

C11H20N2O4 — CID 3732897

IUPAC4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)7-9(10(14)15)12-11(16)13-3-5-17-6-4-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyNZMAANDPAHYSGM-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds4

About 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid

4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid (PubChem CID 3732897) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
PubChem CID3732897
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)7-9(10(14)15)12-11(16)13-3-5-17-6-4-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyNZMAANDPAHYSGM-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid (CID 3732897) is 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid is CC(C)CC(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The InChIKey is NZMAANDPAHYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)7-9(10(14)15)12-11(16)13-3-5-17-6-4-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 3732897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).