2-(butylamino)-2-ethyl-4-oxopentanoic acid

C11H21NO3 — CID 122603773

IUPAC2-(butylamino)-2-ethyl-4-oxopentanoic acid
SMILESCCCCNC(CC)(CC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-6-7-12-11(5-2,10(14)15)8-9(3)13/h12H,4-8H2,1-3H3,(H,14,15)
InChIKeyLUOSBPXAGHKDRX-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.59
Rot. Bonds8

About 2-(butylamino)-2-ethyl-4-oxopentanoic acid

2-(butylamino)-2-ethyl-4-oxopentanoic acid (PubChem CID 122603773) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(butylamino)-2-ethyl-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(butylamino)-2-ethyl-4-oxopentanoic acid
PubChem CID122603773
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(butylamino)-2-ethyl-4-oxopentanoic acid
SMILESCCCCNC(CC)(CC(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-6-7-12-11(5-2,10(14)15)8-9(3)13/h12H,4-8H2,1-3H3,(H,14,15)
InChIKeyLUOSBPXAGHKDRX-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
2-(docosylamino)-4-hydroxy-2-(2-hydroxyethyl)butanoic acid
CID 158170321
2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79809115
2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
CID 79810255
2-(nonylamino)-2-(2-oxoethyl)hexanoic acid
CID 170325808
2-(butylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791166
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806270
2-ethyl-2-(heptan-2-ylamino)butanoic acid
CID 114996703

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-2-ethyl-4-oxopentanoic acid?
The IUPAC name of 2-(butylamino)-2-ethyl-4-oxopentanoic acid (CID 122603773) is 2-(butylamino)-2-ethyl-4-oxopentanoic acid.
What is the SMILES notation for 2-(butylamino)-2-ethyl-4-oxopentanoic acid?
The canonical SMILES for 2-(butylamino)-2-ethyl-4-oxopentanoic acid is CCCCNC(CC)(CC(C)=O)C(=O)O.
What is the InChIKey of 2-(butylamino)-2-ethyl-4-oxopentanoic acid?
The InChIKey is LUOSBPXAGHKDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-6-7-12-11(5-2,10(14)15)8-9(3)13/h12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(butylamino)-2-ethyl-4-oxopentanoic acid?
2-(butylamino)-2-ethyl-4-oxopentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-2-ethyl-4-oxopentanoic acid is sourced from PubChem (CID 122603773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).