4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid

C9H16N2O3 — CID 87666245

IUPAC4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid
SMILESC=C(C)CNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)5-11-9(14)7(10)3-4-8(12)13/h7H,1,3-5,10H2,2H3,(H,11,14)(H,12,13)
InChIKeyVJCGLGDXQXQZGO-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.13
Rot. Bonds6

About 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid

4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid (PubChem CID 87666245) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid
PubChem CID87666245
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid
SMILESC=C(C)CNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)5-11-9(14)7(10)3-4-8(12)13/h7H,1,3-5,10H2,2H3,(H,11,14)(H,12,13)
InChIKeyVJCGLGDXQXQZGO-UHFFFAOYSA-N
XLogP-0.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid (CID 87666245) is 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid is C=C(C)CNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid?
The InChIKey is VJCGLGDXQXQZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)5-11-9(14)7(10)3-4-8(12)13/h7H,1,3-5,10H2,2H3,(H,11,14)(H,12,13).
What are the key properties of 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid?
4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid is sourced from PubChem (CID 87666245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).