5-(2-ethylhexylamino)-5-oxopentanoic acid

C13H25NO3 — CID 4181990

IUPAC5-(2-ethylhexylamino)-5-oxopentanoic acid
SMILESCCCCC(CC)CNC(=O)CCCC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13(16)17/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXWMLZVVZTMWKSC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.57
Rot. Bonds10

About 5-(2-ethylhexylamino)-5-oxopentanoic acid

5-(2-ethylhexylamino)-5-oxopentanoic acid (PubChem CID 4181990) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(2-ethylhexylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-ethylhexylamino)-5-oxopentanoic acid
PubChem CID4181990
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-(2-ethylhexylamino)-5-oxopentanoic acid
SMILESCCCCC(CC)CNC(=O)CCCC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13(16)17/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXWMLZVVZTMWKSC-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
CID 23615613
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
CID 107817325
2-[3-(2-ethylhexylamino)-3-oxopropyl]sulfanylbutanedioic acid
CID 101147657
5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55155767
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
9-ethyloctadecanoic acid
CID 11045212

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(2-ethylhexylamino)-5-oxopentanoic acid (CID 4181990) is 5-(2-ethylhexylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-ethylhexylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-ethylhexylamino)-5-oxopentanoic acid is CCCCC(CC)CNC(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-ethylhexylamino)-5-oxopentanoic acid?
The InChIKey is XWMLZVVZTMWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13(16)17/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-(2-ethylhexylamino)-5-oxopentanoic acid?
5-(2-ethylhexylamino)-5-oxopentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexylamino)-5-oxopentanoic acid is sourced from PubChem (CID 4181990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).