4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid

C13H17FN2O3 — CID 64894439

IUPAC4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c14-10-4-2-1-3-9(10)7-8-16-13(19)11(15)5-6-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18)
InChIKeyCISPEOTVVONRNU-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.68
Rot. Bonds7

About 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid

4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 64894439) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
PubChem CID64894439
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c14-10-4-2-1-3-9(10)7-8-16-13(19)11(15)5-6-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18)
InChIKeyCISPEOTVVONRNU-UHFFFAOYSA-N
XLogP0.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64895020
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
3-(2-fluorophenyl)propanoic acid
CID 2063866
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid (CID 64894439) is 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCc1ccccc1F.
What is the InChIKey of 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is CISPEOTVVONRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-10-4-2-1-3-9(10)7-8-16-13(19)11(15)5-6-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 268.29 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64894439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).