4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid

C12H21N3O5 — CID 61425360

IUPAC4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCCC1COC(C)CN1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-8-6-20-7(2)5-15(8)12(19)14-9(11(17)18)4-10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyLAZPEMCNLVOUGI-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.48
Rot. Bonds5

About 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 61425360) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID61425360
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCCC1COC(C)CN1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-8-6-20-7(2)5-15(8)12(19)14-9(11(17)18)4-10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyLAZPEMCNLVOUGI-UHFFFAOYSA-N
XLogP-0.48
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826453
4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61207093
(2R)-4-amino-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005800
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
CID 81085268
2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpentanoic acid
CID 61424809
N-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboxamide
CID 113222805
2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 61424649

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid (CID 61425360) is 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid is CCC1COC(C)CN1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is LAZPEMCNLVOUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-8-6-20-7(2)5-15(8)12(19)14-9(11(17)18)4-10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 61425360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).