6-(diethylamino)-6-oxohexanoic acid

C10H19NO3 — CID 11356126

IUPAC6-(diethylamino)-6-oxohexanoic acid
SMILESCCN(CC)C(=O)CCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-11(4-2)9(12)7-5-6-8-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyBFUVSUPYGZQRAJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds7

About 6-(diethylamino)-6-oxohexanoic acid

6-(diethylamino)-6-oxohexanoic acid (PubChem CID 11356126) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(diethylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(diethylamino)-6-oxohexanoic acid
PubChem CID11356126
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name6-(diethylamino)-6-oxohexanoic acid
SMILESCCN(CC)C(=O)CCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-11(4-2)9(12)7-5-6-8-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyBFUVSUPYGZQRAJ-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
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

6-Acetylaminocaproic acid
CID 2005
6-(6-Aminohexanamido)hexanoic acid
CID 895
6-(Dimethylamino)hexanoic acid
CID 14052847
6-{[(Tert-butoxy)carbonyl](methyl)amino}hexanoic acid
CID 127261591
3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
6-[(6-Aminohexyl)amino]-6-oxo-hexanoic Acid
CID 59866394
5HepNHCO valeric acid
CID 454080
6-(Heptanoylamino)hexanoic acid
CID 454088
5-Carboxy-N,N,N-trimethylpentan-1-aminium chloride
CID 70695230
5-(N-methylacetamido)pentanoic acid
CID 20298337
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
CID 10332420
5-Carboxypentyl-diethyl-methylazanium chloride
CID 70693155

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(diethylamino)-6-oxohexanoic acid (CID 11356126) is 6-(diethylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(diethylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(diethylamino)-6-oxohexanoic acid is CCN(CC)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-(diethylamino)-6-oxohexanoic acid?
The InChIKey is BFUVSUPYGZQRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-11(4-2)9(12)7-5-6-8-10(13)14/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 6-(diethylamino)-6-oxohexanoic acid?
6-(diethylamino)-6-oxohexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-6-oxohexanoic acid is sourced from PubChem (CID 11356126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).