6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid

C14H22N2O4 — CID 60933195

IUPAC6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
SMILESCN(C)C(CNC(=O)CCCCC(=O)O)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-16(2)11(12-6-5-9-20-12)10-15-13(17)7-3-4-8-14(18)19/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVWMIAIISLOJGSS-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.64
Rot. Bonds9

About 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid

6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid (PubChem CID 60933195) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
PubChem CID60933195
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
SMILESCN(C)C(CNC(=O)CCCCC(=O)O)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-16(2)11(12-6-5-9-20-12)10-15-13(17)7-3-4-8-14(18)19/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVWMIAIISLOJGSS-UHFFFAOYSA-N
XLogP1.64
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
CID 51145123
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43005118
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78784104
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 2481341
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 64895752
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110302093

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid (CID 60933195) is 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid is CN(C)C(CNC(=O)CCCCC(=O)O)c1ccco1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid?
The InChIKey is VWMIAIISLOJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16(2)11(12-6-5-9-20-12)10-15-13(17)7-3-4-8-14(18)19/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid?
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 60933195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).