2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid

C14H26N2O4 — CID 87853778

IUPAC2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
SMILESCC(=O)N(C(=O)C(N)CC(C)C)C(CC(C)C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-8(2)6-11(15)13(18)16(10(5)17)12(14(19)20)7-9(3)4/h8-9,11-12H,6-7,15H2,1-5H3,(H,19,20)
InChIKeyVMOBJGAHDVXXRJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.23
Rot. Bonds7

About 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid

2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid (PubChem CID 87853778) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
PubChem CID87853778
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
SMILESCC(=O)N(C(=O)C(N)CC(C)C)C(CC(C)C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-8(2)6-11(15)13(18)16(10(5)17)12(14(19)20)7-9(3)4/h8-9,11-12H,6-7,15H2,1-5H3,(H,19,20)
InChIKeyVMOBJGAHDVXXRJ-UHFFFAOYSA-N
XLogP1.23
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid (CID 87853778) is 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid is CC(=O)N(C(=O)C(N)CC(C)C)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
The InChIKey is VMOBJGAHDVXXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-8(2)6-11(15)13(18)16(10(5)17)12(14(19)20)7-9(3)4/h8-9,11-12H,6-7,15H2,1-5H3,(H,19,20).
What are the key properties of 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid?
2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 87853778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).