5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid

C14H18FNO3 — CID 94695505

IUPAC5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
SMILESCN(CCc1ccccc1F)C(=O)CCCC(=O)O
InChIInChI=1S/C14H18FNO3/c1-16(13(17)7-4-8-14(18)19)10-9-11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)
InChIKeyYWPSXRBFVLYJAO-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.08
Rot. Bonds7

About 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid

5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid (PubChem CID 94695505) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
PubChem CID94695505
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
SMILESCN(CCc1ccccc1F)C(=O)CCCC(=O)O
InChIInChI=1S/C14H18FNO3/c1-16(13(17)7-4-8-14(18)19)10-9-11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)
InChIKeyYWPSXRBFVLYJAO-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 94689747
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-(2-fluorophenyl)propanoic acid
CID 2063866
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
5-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61412281

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid (CID 94695505) is 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid is CN(CCc1ccccc1F)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid?
The InChIKey is YWPSXRBFVLYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16(13(17)7-4-8-14(18)19)10-9-11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,18,19).
What are the key properties of 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid?
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 94695505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).