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

C12H22N2O4 — CID 83100616

IUPAC2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCOCC1C(=O)NCC
InChIInChI=1S/C12H22N2O4/c1-3-5-9(12(16)17)14-6-7-18-8-10(14)11(15)13-4-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGHYUECAMEGDVTM-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds6

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

2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid (PubChem CID 83100616) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid.

Molecular Properties

Compound Name2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
PubChem CID83100616
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCOCC1C(=O)NCC
InChIInChI=1S/C12H22N2O4/c1-3-5-9(12(16)17)14-6-7-18-8-10(14)11(15)13-4-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGHYUECAMEGDVTM-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
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-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771
2-(3-methylmorpholin-4-yl)pentanoic acid
CID 83041172
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
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]amino]butanoic acid
CID 83103752
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 83104275
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
The IUPAC name of 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid (CID 83100616) is 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid.
What is the SMILES notation for 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
The canonical SMILES for 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid is CCCC(C(=O)O)N1CCOCC1C(=O)NCC.
What is the InChIKey of 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
The InChIKey is GHYUECAMEGDVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-5-9(12(16)17)14-6-7-18-8-10(14)11(15)13-4-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 6 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]pentanoic acid is sourced from PubChem (CID 83100616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).