4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid

C14H26N2O4 — CID 103995566

IUPAC4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
SMILESCCCCC(CC)CNC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-6-11(4-2)9-15-14(19)16-7-8-20-10-12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFAFWFMIJNNUSAM-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds7

About 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid

4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid (PubChem CID 103995566) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
PubChem CID103995566
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
SMILESCCCCC(CC)CNC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-6-11(4-2)9-15-14(19)16-7-8-20-10-12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFAFWFMIJNNUSAM-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 113364388
1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
CID 95571619
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 114116894
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
CID 106110427

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid (CID 103995566) is 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid is CCCCC(CC)CNC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid?
The InChIKey is FAFWFMIJNNUSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-6-11(4-2)9-15-14(19)16-7-8-20-10-12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid?
4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 103995566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).