2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid

C11H20N2O5 — CID 82787220

IUPAC2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C(C)CCN)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(5-6-12)10(15)13-8(11(16)17)3-4-9(14)18-2/h7-8H,3-6,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYYBKHNOOBGZENK-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.51
Rot. Bonds8

About 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid

2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82787220) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82787220
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C(C)CCN)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(5-6-12)10(15)13-8(11(16)17)3-4-9(14)18-2/h7-8H,3-6,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYYBKHNOOBGZENK-UHFFFAOYSA-N
XLogP-0.51
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 113342344
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82781084
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
(2S)-2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824122
2-(6-aminohexanoylamino)-5-methoxy-5-oxopentanoic acid
CID 82787226
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid (CID 82787220) is 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)C(C)CCN)C(=O)O.
What is the InChIKey of 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is YYBKHNOOBGZENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(5-6-12)10(15)13-8(11(16)17)3-4-9(14)18-2/h7-8H,3-6,12H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82787220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).