2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride

C13H23FN2O3 — CID 144955389

IUPAC2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride
SMILESCNCCCCC(C(C)=O)N(CC(C)=O)CC(=O)F
InChIInChI=1S/C13H23FN2O3/c1-10(17)8-16(9-13(14)19)12(11(2)18)6-4-5-7-15-3/h12,15H,4-9H2,1-3H3
InChIKeyQPGYFNGEURSIDN-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.72
Rot. Bonds11

About 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride

2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride (PubChem CID 144955389) has the molecular formula C13H23FN2O3 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride.

Molecular Properties

Compound Name2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride
PubChem CID144955389
Molecular FormulaC13H23FN2O3
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride
SMILESCNCCCCC(C(C)=O)N(CC(C)=O)CC(=O)F
InChIInChI=1S/C13H23FN2O3/c1-10(17)8-16(9-13(14)19)12(11(2)18)6-4-5-7-15-3/h12,15H,4-9H2,1-3H3
InChIKeyQPGYFNGEURSIDN-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-1-(cyclopropylamino)heptan-2-one
CID 10103872
(3S)-3-Amino-1-(cyclopropylamino)heptan-2-one
CID 23647798
8-Amino-1,1,1-trifluoro-3-(pentylamino)octan-2-one
CID 57178177
2,2,2-trifluoro-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 89554493
2,2,2-trifluoro-N-[(5S)-5-(methylamino)-6-oxoheptyl]acetamide
CID 89554510
N-(2-fluoroethyl)-3-(methylamino)-2-oxohexanamide
CID 89563213
N-[(3S)-7-amino-1-fluoro-2-oxoheptan-3-yl]acetamide
CID 132157556
6-[Methyl(2,2,2-trifluoroethyl)amino]-1-(propan-2-ylamino)hexan-2-one
CID 149552340
N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride
CID 170654538
(3S)-7-amino-3-[fluoro(methyl)amino]heptan-2-one
CID 175991703
6,6,6-Trifluoro-1-(propan-2-ylamino)hexan-2-one
CID 116554937
1-(Butan-2-ylamino)-6,6,6-trifluorohexan-2-one
CID 116556231

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride?
The IUPAC name of 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride (CID 144955389) is 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride.
What is the SMILES notation for 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride?
The canonical SMILES for 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride is CNCCCCC(C(C)=O)N(CC(C)=O)CC(=O)F.
What is the InChIKey of 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride?
The InChIKey is QPGYFNGEURSIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3/c1-10(17)8-16(9-13(14)19)12(11(2)18)6-4-5-7-15-3/h12,15H,4-9H2,1-3H3.
What are the key properties of 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride?
2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride has a molecular weight of 274.34 g/mol, XLogP of 0.72, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(methylamino)-2-oxoheptan-3-yl]-(2-oxopropyl)amino]acetyl fluoride is sourced from PubChem (CID 144955389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).