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

C12H22N2O4 — CID 83100771

IUPAC4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
SMILESCCNC(=O)C1COCCN1C(C)CCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-13-12(17)10-8-18-7-6-14(10)9(2)4-5-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyXTTIFUIOIVOLAB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds6

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

4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid (PubChem CID 83100771) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid.

Molecular Properties

Compound Name4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
PubChem CID83100771
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
SMILESCCNC(=O)C1COCCN1C(C)CCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-13-12(17)10-8-18-7-6-14(10)9(2)4-5-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyXTTIFUIOIVOLAB-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]pentanoic acid
CID 83100616
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
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
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
4-(5-hydrazinyl-5-oxopentan-2-yl)morpholine-3-carboxamide
CID 83095939
4-(5-hydrazinyl-5-oxopentan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105965
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 83100910
4-[3-(ethylcarbamoyl)morpholin-4-yl]-3-hydroxybutanoic acid
CID 83100116
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
The IUPAC name of 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid (CID 83100771) is 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid.
What is the SMILES notation for 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
The canonical SMILES for 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid is CCNC(=O)C1COCCN1C(C)CCC(=O)O.
What is the InChIKey of 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
The InChIKey is XTTIFUIOIVOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-13-12(17)10-8-18-7-6-14(10)9(2)4-5-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid?
4-[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 4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid is sourced from PubChem (CID 83100771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).