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

C14H25NO4 — CID 119239968

IUPAC4-(3-ethylheptanoyl)morpholine-2-carboxylic acid
SMILESCCCCC(CC)CC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-5-6-11(4-2)9-13(16)15-7-8-19-12(10-15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyIKHLYERUBYKWFN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds7

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

4-(3-ethylheptanoyl)morpholine-2-carboxylic acid (PubChem CID 119239968) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethylheptanoyl)morpholine-2-carboxylic acid
PubChem CID119239968
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-(3-ethylheptanoyl)morpholine-2-carboxylic acid
SMILESCCCCC(CC)CC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-5-6-11(4-2)9-13(16)15-7-8-19-12(10-15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyIKHLYERUBYKWFN-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
CID 119166750
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
4-(5-aminohexanoyl)morpholine-2-carboxylic acid
CID 82852225
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
4-[3-(4-propan-2-ylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119239576
(2S)-4-[3-(2-methylpropoxy)propanoyl]morpholine-2-carboxylic acid
CID 125154347
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid
CID 104502499

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid (CID 119239968) is 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid is CCCCC(CC)CC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid?
The InChIKey is IKHLYERUBYKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-5-6-11(4-2)9-13(16)15-7-8-19-12(10-15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid?
4-(3-ethylheptanoyl)morpholine-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylheptanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).