4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide

C11H21N3O3 — CID 83103788

IUPAC4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(CC)C(N)=O
InChIInChI=1S/C11H21N3O3/c1-3-8(10(12)15)14-5-6-17-7-9(14)11(16)13-4-2/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyMZLRZRJSMSORAR-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.91
Rot. Bonds5

About 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide

4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83103788) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
PubChem CID83103788
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(CC)C(N)=O
InChIInChI=1S/C11H21N3O3/c1-3-8(10(12)15)14-5-6-17-7-9(14)11(16)13-4-2/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyMZLRZRJSMSORAR-UHFFFAOYSA-N
XLogP-0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106921
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771
4-(2-carbamothioylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097501
3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
CID 114242234
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-N-ethylmorpholine-3-carboxamide
CID 83106718
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide (CID 83103788) is 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(CC)C(N)=O.
What is the InChIKey of 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is MZLRZRJSMSORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-8(10(12)15)14-5-6-17-7-9(14)11(16)13-4-2/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide?
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83103788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).