4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid

C13H25N3O4 — CID 3719244

IUPAC4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-10(2)9-11(12(17)18)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyQVQKFZOITRQANP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.12
Rot. Bonds7

About 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid

4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid (PubChem CID 3719244) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
PubChem CID3719244
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-10(2)9-11(12(17)18)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyQVQKFZOITRQANP-UHFFFAOYSA-N
XLogP0.12
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid (CID 3719244) is 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid is CC(C)CC(NC(=O)NCCN1CCOCC1)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is QVQKFZOITRQANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-10(2)9-11(12(17)18)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid?
4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 3719244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).