2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid

C11H20N2O4 — CID 83099705

IUPAC2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
SMILESCCNC(=O)C1COCCN1C(CC)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(11(15)16)13-5-6-17-7-9(13)10(14)12-4-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBRMIERBSRDHKMU-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds5

About 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid

2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid (PubChem CID 83099705) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
PubChem CID83099705
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
SMILESCCNC(=O)C1COCCN1C(CC)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(11(15)16)13-5-6-17-7-9(13)10(14)12-4-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBRMIERBSRDHKMU-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
CID 114242234
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771
4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106921
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 83100910
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104262
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
2-(2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl)butanoic acid
CID 121204472

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid?
The IUPAC name of 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid (CID 83099705) is 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid?
The canonical SMILES for 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid is CCNC(=O)C1COCCN1C(CC)C(=O)O.
What is the InChIKey of 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid?
The InChIKey is BRMIERBSRDHKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-8(11(15)16)13-5-6-17-7-9(13)10(14)12-4-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid?
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 83099705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).