(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid

C11H13FN2O3 — CID 101158514

IUPAC(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c12-7-1-3-8(4-2-7)14-10(15)6-5-9(13)11(16)17/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyLAMLGLRGIJZKAA-VIFPVBQESA-N
MW240.23 g/mol
LogP0.96
Rot. Bonds5

About (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid

(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid (PubChem CID 101158514) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
PubChem CID101158514
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c12-7-1-3-8(4-2-7)14-10(15)6-5-9(13)11(16)17/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyLAMLGLRGIJZKAA-VIFPVBQESA-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-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
(2S)-2-amino-5-[4-[bis(2-hydroxyethyl)amino]anilino]-5-oxopentanoic acid
CID 14457220
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118
N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 2832938
(2S)-2-amino-5-(4-hydroxy-3-iodoanilino)-5-oxopentanoic acid
CID 131873945
5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-hydroxybenzoic acid
CID 12873554
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
(2S)-2-amino-5-oxo-5-(3-phosphonoanilino)pentanoic acid
CID 45275687
(2S)-2-amino-5-(4-hydroxy-3-sulfoanilino)-5-oxopentanoic acid
CID 123936352
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
2-amino-4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylbutanoic acid
CID 60919629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid (CID 101158514) is (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid is N[C@@H](CCC(=O)Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
The InChIKey is LAMLGLRGIJZKAA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-1-3-8(4-2-7)14-10(15)6-5-9(13)11(16)17/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid?
(2S)-2-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 (2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid is sourced from PubChem (CID 101158514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).