4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid

C13H17FN2O3 — CID 64890884

IUPAC4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(N)CCC(=O)O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-8(9-3-2-4-10(14)7-9)16-13(19)11(15)5-6-12(17)18/h2-4,7-8,11H,5-6,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyIDRJBPYBUSANKK-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.20
Rot. Bonds6

About 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid

4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 64890884) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid
PubChem CID64890884
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(N)CCC(=O)O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-8(9-3-2-4-10(14)7-9)16-13(19)11(15)5-6-12(17)18/h2-4,7-8,11H,5-6,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyIDRJBPYBUSANKK-UHFFFAOYSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[1-(3-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 64894767
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82846759
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid (CID 64890884) is 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid is CC(NC(=O)C(N)CCC(=O)O)c1cccc(F)c1.
What is the InChIKey of 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is IDRJBPYBUSANKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(9-3-2-4-10(14)7-9)16-13(19)11(15)5-6-12(17)18/h2-4,7-8,11H,5-6,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 268.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64890884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).