5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid

C13H22N2O5 — CID 62963970

IUPAC5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC1COCCN1C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-10-8-20-5-4-15(10)13(19)14-11(16)6-9(2)7-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeySLKMSRJYRFPAFW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds5

About 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid

5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62963970) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62963970
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC1COCCN1C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H22N2O5/c1-3-10-8-20-5-4-15(10)13(19)14-11(16)6-9(2)7-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeySLKMSRJYRFPAFW-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 95969405
5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965510
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
3-methyl-5-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
CID 83026209
3-(3-ethylmorpholin-4-yl)pentanoic acid
CID 63069337
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid (CID 62963970) is 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid is CCC1COCCN1C(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is SLKMSRJYRFPAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-10-8-20-5-4-15(10)13(19)14-11(16)6-9(2)7-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).