2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid

C11H21N3O4 — CID 175582504

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

About 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid

2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid (PubChem CID 175582504) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid
PubChem CID175582504
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid
SMILESCC(C)CC(N)C(=O)N(CC(=O)O)C(=O)C(C)N
InChIInChI=1S/C11H21N3O4/c1-6(2)4-8(13)11(18)14(5-9(15)16)10(17)7(3)12/h6-8H,4-5,12-13H2,1-3H3,(H,15,16)
InChIKeyCOJOKIXOUJAFLA-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-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid (CID 175582504) is 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid is CC(C)CC(N)C(=O)N(CC(=O)O)C(=O)C(C)N.
What is the InChIKey of 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid?
The InChIKey is COJOKIXOUJAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(2)4-8(13)11(18)14(5-9(15)16)10(17)7(3)12/h6-8H,4-5,12-13H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid?
2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic 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-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid is sourced from PubChem (CID 175582504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).