5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid

C11H21N3O4 — CID 62838558

IUPAC5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
SMILESCCNCC(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-13-6-7(2)10(16)14-8(11(17)18)4-5-9(12)15/h7-8,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyQZMMQNCARRAOHJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.93
Rot. Bonds9

About 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid (PubChem CID 62838558) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
PubChem CID62838558
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
SMILESCCNCC(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-13-6-7(2)10(16)14-8(11(17)18)4-5-9(12)15/h7-8,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyQZMMQNCARRAOHJ-UHFFFAOYSA-N
XLogP-0.93
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid
CID 90241102
(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
CID 142184881
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
(2S)-5-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 87920148
(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
CID 107830111
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
(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
(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 107830332

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid (CID 62838558) is 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid is CCNCC(C)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid?
The InChIKey is QZMMQNCARRAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-13-6-7(2)10(16)14-8(11(17)18)4-5-9(12)15/h7-8,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18).
What are the key properties of 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.93, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 62838558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).