7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid

C14H26N2O4 — CID 61427989

IUPAC7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid
SMILESCC1(C)COCCN1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2)11-20-10-9-16(14)13(19)15-8-6-4-3-5-7-12(17)18/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPWXJYLKTAITBAE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds7

About 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid

7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid (PubChem CID 61427989) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid
PubChem CID61427989
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid
SMILESCC1(C)COCCN1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2)11-20-10-9-16(14)13(19)15-8-6-4-3-5-7-12(17)18/h3-11H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPWXJYLKTAITBAE-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002610
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66177207
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
7-(morpholin-4-ylcarbamoylamino)heptanoic acid
CID 83020507
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61428498
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
CID 83098739
6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
CID 83096416
(2S)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107826661
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 115292950

Frequently Asked Questions

What is the IUPAC name of 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid (CID 61427989) is 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid is CC1(C)COCCN1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid?
The InChIKey is PWXJYLKTAITBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2)11-20-10-9-16(14)13(19)15-8-6-4-3-5-7-12(17)18/h3-11H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid?
7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 61427989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).