5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid

C11H19N3O4 — CID 90302702

IUPAC5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid
SMILESC=C(C)C(=O)NCCNC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(2)10(16)14-6-5-13-8(11(17)18)3-4-9(12)15/h8,13H,1,3-6H2,2H3,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyAVMWTGBBYHQGFZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.01
Rot. Bonds9

About 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid

5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid (PubChem CID 90302702) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid
PubChem CID90302702
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid
SMILESC=C(C)C(=O)NCCNC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(2)10(16)14-6-5-13-8(11(17)18)3-4-9(12)15/h8,13H,1,3-6H2,2H3,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyAVMWTGBBYHQGFZ-UHFFFAOYSA-N
XLogP-1.01
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid (CID 90302702) is 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid is C=C(C)C(=O)NCCNC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid?
The InChIKey is AVMWTGBBYHQGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(2)10(16)14-6-5-13-8(11(17)18)3-4-9(12)15/h8,13H,1,3-6H2,2H3,(H2,12,15)(H,14,16)(H,17,18).
What are the key properties of 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid?
5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.01, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(2-methylprop-2-enoylamino)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 90302702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).