4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide

C11H21N3O3 — CID 83101952

IUPAC4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
SMILESCCC(N)(CC)C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C11H21N3O3/c1-3-11(13,4-2)10(16)14-5-6-17-7-8(14)9(12)15/h8H,3-7,13H2,1-2H3,(H2,12,15)
InChIKeyHDSQAMYOWQMVCQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.78
Rot. Bonds4

About 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide

4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide (PubChem CID 83101952) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
PubChem CID83101952
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
SMILESCCC(N)(CC)C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C11H21N3O3/c1-3-11(13,4-2)10(16)14-5-6-17-7-8(14)9(12)15/h8H,3-7,13H2,1-2H3,(H2,12,15)
InChIKeyHDSQAMYOWQMVCQ-UHFFFAOYSA-N
XLogP-0.78
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
CID 83101865
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
CID 83102064
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-(2-carbamothioyl-2-ethylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097118
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-[3-(aminomethyl)pentanoyl]morpholine-3-carboxamide
CID 83102085
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholine-3-carboxamide
CID 83198470
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide (CID 83101952) is 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide is CCC(N)(CC)C(=O)N1CCOCC1C(N)=O.
What is the InChIKey of 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide?
The InChIKey is HDSQAMYOWQMVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-11(13,4-2)10(16)14-5-6-17-7-8(14)9(12)15/h8H,3-7,13H2,1-2H3,(H2,12,15).
What are the key properties of 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide?
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83101952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).