4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid

C15H28N2O3 — CID 60832996

IUPAC4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
SMILESC=C(C)CN(CC)C(=O)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-6-16(10-12(2)3)14(18)11-17(13(4)5)9-7-8-15(19)20/h13H,2,6-11H2,1,3-5H3,(H,19,20)
InChIKeyVQXGULFUHPKHPV-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.99
Rot. Bonds10

About 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid

4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid (PubChem CID 60832996) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
PubChem CID60832996
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
SMILESC=C(C)CN(CC)C(=O)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-6-16(10-12(2)3)14(18)11-17(13(4)5)9-7-8-15(19)20/h13H,2,6-11H2,1,3-5H3,(H,19,20)
InChIKeyVQXGULFUHPKHPV-UHFFFAOYSA-N
XLogP1.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid (CID 60832996) is 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid is C=C(C)CN(CC)C(=O)CN(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The InChIKey is VQXGULFUHPKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-16(10-12(2)3)14(18)11-17(13(4)5)9-7-8-15(19)20/h13H,2,6-11H2,1,3-5H3,(H,19,20).
What are the key properties of 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid?
4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60832996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).