2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid

C10H19N3O4 — CID 18218182

IUPAC2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)3-7(10(16)17)13-9(15)6(11)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyHXWUJJADFMXNKA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.20
Rot. Bonds7

About 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid

2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid (PubChem CID 18218182) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid
PubChem CID18218182
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)3-7(10(16)17)13-9(15)6(11)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyHXWUJJADFMXNKA-UHFFFAOYSA-N
XLogP-1.20
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid (CID 18218182) is 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)O.
What is the InChIKey of 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid?
The InChIKey is HXWUJJADFMXNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(2)3-7(10(16)17)13-9(15)6(11)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid?
2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 18218182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).