6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid

C14H27NO3 — CID 43588237

IUPAC6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
SMILESCCC(CC)CN(CC)C(=O)CCCCC(=O)O
InChIInChI=1S/C14H27NO3/c1-4-12(5-2)11-15(6-3)13(16)9-7-8-10-14(17)18/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyACCHKRBBMJCVGC-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.92
Rot. Bonds10

About 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid

6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid (PubChem CID 43588237) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
PubChem CID43588237
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
SMILESCCC(CC)CN(CC)C(=O)CCCCC(=O)O
InChIInChI=1S/C14H27NO3/c1-4-12(5-2)11-15(6-3)13(16)9-7-8-10-14(17)18/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyACCHKRBBMJCVGC-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 107908425
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
6-[(2-amino-2-oxoethyl)-ethylamino]-6-oxohexanoic acid
CID 103101524
5-amino-N-ethyl-N-(2-ethylbutyl)-4-methylpentanamide
CID 82011557
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
CID 43465984
5-ethyldecanedioic acid
CID 54495296

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid (CID 43588237) is 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid is CCC(CC)CN(CC)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid?
The InChIKey is ACCHKRBBMJCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-12(5-2)11-15(6-3)13(16)9-7-8-10-14(17)18/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid?
6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 43588237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).