4-amino-4-oxo-2-(pentanoylamino)butanoic acid

C9H16N2O4 — CID 43175996

IUPAC4-amino-4-oxo-2-(pentanoylamino)butanoic acid
SMILESCCCCC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-3-4-8(13)11-6(9(14)15)5-7(10)12/h6H,2-5H2,1H3,(H2,10,12)(H,11,13)(H,14,15)
InChIKeyVTJUDWBJIUGTJJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.38
Rot. Bonds7

About 4-amino-4-oxo-2-(pentanoylamino)butanoic acid

4-amino-4-oxo-2-(pentanoylamino)butanoic acid (PubChem CID 43175996) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-amino-4-oxo-2-(pentanoylamino)butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-(pentanoylamino)butanoic acid
PubChem CID43175996
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-amino-4-oxo-2-(pentanoylamino)butanoic acid
SMILESCCCCC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-3-4-8(13)11-6(9(14)15)5-7(10)12/h6H,2-5H2,1H3,(H2,10,12)(H,11,13)(H,14,15)
InChIKeyVTJUDWBJIUGTJJ-UHFFFAOYSA-N
XLogP-0.38
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2S)-4-amino-4-oxo-2-[[(Z)-pentadec-9-enoyl]amino]butanoic acid
CID 171116631
(2S)-4-amino-2-(6-deuteriohexanoylamino)-4-oxobutanoic acid
CID 166594796
(2S)-4-amino-2-[[2-(dodecanoylamino)acetyl]amino]-4-oxobutanoic acid
CID 175700078
(2R)-4-amino-2-[4-(methylamino)butanoylamino]-4-oxobutanoic acid
CID 103870299
(2S)-2-(decanoylamino)butanediamide
CID 54547398
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
disodium;(2S)-2-(hexanoylamino)butanedioic acid;hydride
CID 174918684
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-(pentanoylamino)butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-(pentanoylamino)butanoic acid (CID 43175996) is 4-amino-4-oxo-2-(pentanoylamino)butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-(pentanoylamino)butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-(pentanoylamino)butanoic acid is CCCCC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-(pentanoylamino)butanoic acid?
The InChIKey is VTJUDWBJIUGTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-3-4-8(13)11-6(9(14)15)5-7(10)12/h6H,2-5H2,1H3,(H2,10,12)(H,11,13)(H,14,15).
What are the key properties of 4-amino-4-oxo-2-(pentanoylamino)butanoic acid?
4-amino-4-oxo-2-(pentanoylamino)butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-(pentanoylamino)butanoic acid is sourced from PubChem (CID 43175996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).