5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid

C15H29NO3 — CID 55155767

IUPAC5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCCC(CC)CNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H29NO3/c1-5-7-8-12(6-2)11-16-13(17)9-15(3,4)10-14(18)19/h12H,5-11H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyFLKDMLUDHBKKFS-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.21
Rot. Bonds10

About 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 55155767) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID55155767
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCCC(CC)CNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H29NO3/c1-5-7-8-12(6-2)11-16-13(17)9-15(3,4)10-14(18)19/h12H,5-11H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyFLKDMLUDHBKKFS-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
CID 23615613
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 107817453
2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
CID 107817392
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 55155767) is 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid is CCCCC(CC)CNC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is FLKDMLUDHBKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-7-8-12(6-2)11-16-13(17)9-15(3,4)10-14(18)19/h12H,5-11H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 55155767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).