2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid

C11H20N2O5 — CID 18218218

IUPAC2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid
SMILESCCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyKTGFOCFYOZQVRJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.21
Rot. Bonds8

About 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid

2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid (PubChem CID 18218218) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid
PubChem CID18218218
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid
SMILESCCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyKTGFOCFYOZQVRJ-UHFFFAOYSA-N
XLogP-0.21
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid?
The IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid (CID 18218218) is 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid is CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid?
The InChIKey is KTGFOCFYOZQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid?
2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid has a molecular weight of 260.29 g/mol, XLogP of -0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid is sourced from PubChem (CID 18218218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).