5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid

C13H24N2O4 — CID 43125486

IUPAC5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
SMILESCCCCC(CC)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-5-6-9(4-2)12(17)15-10(13(18)19)7-8-11(14)16/h9-10H,3-8H2,1-2H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyPVJABGAWQHYFTK-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.04
Rot. Bonds10

About 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid

5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid (PubChem CID 43125486) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
PubChem CID43125486
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
SMILESCCCCC(CC)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-5-6-9(4-2)12(17)15-10(13(18)19)7-8-11(14)16/h9-10H,3-8H2,1-2H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyPVJABGAWQHYFTK-UHFFFAOYSA-N
XLogP1.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid
CID 90241102
(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
CID 78975573
2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
(2S)-2-[[(2S)-2-butylheptanoyl]amino]butanoic acid
CID 87898697
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid (CID 43125486) is 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid is CCCCC(CC)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid?
The InChIKey is PVJABGAWQHYFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-5-6-9(4-2)12(17)15-10(13(18)19)7-8-11(14)16/h9-10H,3-8H2,1-2H3,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid?
5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43125486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).