2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid

C11H21N3O4 — CID 126673009

IUPAC2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)CN)C(=O)C(C)N
InChIInChI=1S/C11H21N3O4/c1-6(2)4-8(11(17)18)14(9(15)5-12)10(16)7(3)13/h6-8H,4-5,12-13H2,1-3H3,(H,17,18)
InChIKeyMHESIXXYOBDHRZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.85
Rot. Bonds6

About 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid

2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid (PubChem CID 126673009) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid
PubChem CID126673009
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)CN)C(=O)C(C)N
InChIInChI=1S/C11H21N3O4/c1-6(2)4-8(11(17)18)14(9(15)5-12)10(16)7(3)13/h6-8H,4-5,12-13H2,1-3H3,(H,17,18)
InChIKeyMHESIXXYOBDHRZ-UHFFFAOYSA-N
XLogP-0.85
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid (CID 126673009) is 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(C(=O)CN)C(=O)C(C)N.
What is the InChIKey of 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is MHESIXXYOBDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(2)4-8(11(17)18)14(9(15)5-12)10(16)7(3)13/h6-8H,4-5,12-13H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid?
2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-(2-aminopropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 126673009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).