4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C14H26N2O4 — CID 60948274

IUPAC4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCCCN(CC(N)=O)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-5-6-7-16(9-11(15)17)12(18)8-14(4,10(2)3)13(19)20/h10H,5-9H2,1-4H3,(H2,15,17)(H,19,20)
InChIKeyILRFICFZBMXTGH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.24
Rot. Bonds9

About 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 60948274) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID60948274
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCCCN(CC(N)=O)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-5-6-7-16(9-11(15)17)12(18)8-14(4,10(2)3)13(19)20/h10H,5-9H2,1-4H3,(H2,15,17)(H,19,20)
InChIKeyILRFICFZBMXTGH-UHFFFAOYSA-N
XLogP1.24
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 60948274) is 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCCCN(CC(N)=O)C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is ILRFICFZBMXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-6-7-16(9-11(15)17)12(18)8-14(4,10(2)3)13(19)20/h10H,5-9H2,1-4H3,(H2,15,17)(H,19,20).
What are the key properties of 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 60948274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).