(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid

C16H15FN2O3 — CID 171561206

IUPAC(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid
SMILESO=C(NN[C@@H](Cc1ccccc1)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c17-13-8-6-12(7-9-13)15(20)19-18-14(16(21)22)10-11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,19,20)(H,21,22)/t14-/m0/s1
InChIKeyBXALZSHPJQDVCK-AWEZNQCLSA-N
MW302.31 g/mol
LogP1.76
Rot. Bonds6

About (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid

(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid (PubChem CID 171561206) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid
PubChem CID171561206
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid
SMILESO=C(NN[C@@H](Cc1ccccc1)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c17-13-8-6-12(7-9-13)15(20)19-18-14(16(21)22)10-11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,19,20)(H,21,22)/t14-/m0/s1
InChIKeyBXALZSHPJQDVCK-AWEZNQCLSA-N
XLogP1.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
(2S)-2-[[(2R)-2-[[(2S)-2-[(4-(18F)fluorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 56643483
3-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 132893045
(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[(4-formylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 177498272
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037960
N'-[(1S)-1,2-diphenylethyl]benzohydrazide
CID 14923144
(2R)-2-[[4-[(E)-2-[4-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]phenyl]ethenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 91827493
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
CID 53355842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid (CID 171561206) is (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid is O=C(NN[C@@H](Cc1ccccc1)C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid?
The InChIKey is BXALZSHPJQDVCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-13-8-6-12(7-9-13)15(20)19-18-14(16(21)22)10-11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,19,20)(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid?
(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid has a molecular weight of 302.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid is sourced from PubChem (CID 171561206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).