5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid

C13H22N2O5 — CID 62965510

IUPAC5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC1CN(C(=O)NC(=O)CC(C)CC(=O)O)CCO1
InChIInChI=1S/C13H22N2O5/c1-3-10-8-15(4-5-20-10)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)
InChIKeyQBTAJUSLLXMYRA-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds5

About 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid

5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965510) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965510
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC1CN(C(=O)NC(=O)CC(C)CC(=O)O)CCO1
InChIInChI=1S/C13H22N2O5/c1-3-10-8-15(4-5-20-10)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)
InChIKeyQBTAJUSLLXMYRA-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

2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61203036
3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62942046
2-ethylmorpholine-4-carboxylic acid
CID 121455686
5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963970
2-[(2-ethyl-1,4-oxazepane-4-carbonyl)amino]-3-methylbutanoic acid
CID 114218615
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63978057
1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81163145
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid (CID 62965510) is 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid is CCC1CN(C(=O)NC(=O)CC(C)CC(=O)O)CCO1.
What is the InChIKey of 5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is QBTAJUSLLXMYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-10-8-15(4-5-20-10)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-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid?
5-[(2-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-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).