4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C14H27NO3 — CID 43437509

IUPAC4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCCCN(CC)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-6-8-9-15(7-2)12(16)10-14(5,11(3)4)13(17)18/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyXKWYIQLAMIXCCG-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.77
Rot. Bonds8

About 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 43437509) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID43437509
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCCCN(CC)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-6-8-9-15(7-2)12(16)10-14(5,11(3)4)13(17)18/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyXKWYIQLAMIXCCG-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60948274
2-methyl-4-[methyl(pentyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43437642
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61042046
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 63981019
4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297807
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60953759
N-butyl-N-ethylpentanamide
CID 4629847
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
5-amino-N-butyl-N-ethylhexanamide
CID 82848623
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
4-ethyl-2-methyl-2-propan-2-yloctanoic acid
CID 83148291
4-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60949595

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 43437509) is 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCCCN(CC)C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is XKWYIQLAMIXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-8-9-15(7-2)12(16)10-14(5,11(3)4)13(17)18/h11H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 43437509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).