5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid

C13H25NO3 — CID 65254891

IUPAC5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
SMILESCCC1CN(CCCC(C)(C)C(=O)O)CCO1
InChIInChI=1S/C13H25NO3/c1-4-11-10-14(8-9-17-11)7-5-6-13(2,3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyUQDVHCBXDULCKD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.99
Rot. Bonds6

About 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid

5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid (PubChem CID 65254891) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
PubChem CID65254891
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
SMILESCCC1CN(CCCC(C)(C)C(=O)O)CCO1
InChIInChI=1S/C13H25NO3/c1-4-11-10-14(8-9-17-11)7-5-6-13(2,3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyUQDVHCBXDULCKD-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-dodecyl-2-ethylmorpholine
CID 4616518
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
CID 62623866
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60850473
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
6-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64795976
5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid
CID 79183884
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63028463
5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid
CID 62299244
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid?
The IUPAC name of 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid (CID 65254891) is 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid is CCC1CN(CCCC(C)(C)C(=O)O)CCO1.
What is the InChIKey of 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid?
The InChIKey is UQDVHCBXDULCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-11-10-14(8-9-17-11)7-5-6-13(2,3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid?
5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65254891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).