4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid

C11H13FN2O3 — CID 64895789

IUPAC4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c12-7-1-3-8(4-2-7)14-11(17)9(13)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)
InChIKeyICUTUGANHMMUOK-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.96
Rot. Bonds5

About 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid

4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid (PubChem CID 64895789) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
PubChem CID64895789
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c12-7-1-3-8(4-2-7)14-11(17)9(13)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)
InChIKeyICUTUGANHMMUOK-UHFFFAOYSA-N
XLogP0.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 101158514
4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348060
4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
CID 64894459
4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid
CID 107641748
4-amino-5-(3-bromoanilino)-5-oxopentanoic acid
CID 64895596
3-[4-[[(2S)-2-aminopentanoyl]amino]phenyl]propanoic acid
CID 107570295
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719
(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
CID 67009207
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
4-amino-5-(1-benzothiophen-5-ylamino)-5-oxopentanoic acid
CID 64897152
4-amino-5-(4-bromo-3-methoxyanilino)-5-oxopentanoic acid
CID 82867308

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid (CID 64895789) is 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
The InChIKey is ICUTUGANHMMUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-1-3-8(4-2-7)14-11(17)9(13)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid has a molecular weight of 240.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid is sourced from PubChem (CID 64895789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).