(2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid

C17H15FN2O3 — CID 71456249

IUPAC(2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O
InChIInChI=1S/C17H15FN2O3/c18-11-1-3-13-9(6-11)5-10-7-12(2-4-14(10)13)20-16(21)8-15(19)17(22)23/h1-4,6-7,15H,5,8,19H2,(H,20,21)(H,22,23)/t15-/m0/s1
InChIKeyNGYBWUWAZHMQRP-HNNXBMFYSA-N
MW314.32 g/mol
LogP2.14
Rot. Bonds4

About (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid

(2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid (PubChem CID 71456249) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid
PubChem CID71456249
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O
InChIInChI=1S/C17H15FN2O3/c18-11-1-3-13-9(6-11)5-10-7-12(2-4-14(10)13)20-16(21)8-15(19)17(22)23/h1-4,6-7,15H,5,8,19H2,(H,20,21)(H,22,23)/t15-/m0/s1
InChIKeyNGYBWUWAZHMQRP-HNNXBMFYSA-N
XLogP2.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid (CID 71456249) is (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid is N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is NGYBWUWAZHMQRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-11-1-3-13-9(6-11)5-10-7-12(2-4-14(10)13)20-16(21)8-15(19)17(22)23/h1-4,6-7,15H,5,8,19H2,(H,20,21)(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid?
(2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 314.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 71456249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).