5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid

C15H19FN2O6 — CID 69129405

IUPAC5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid
SMILESC[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(O)CF
InChIInChI=1S/C15H19FN2O6/c1-9(24-15(23)17-10-5-3-2-4-6-10)14(22)18-11(7-13(20)21)12(19)8-16/h2-6,9,11-12,19H,7-8H2,1H3,(H,17,23)(H,18,22)(H,20,21)/t9-,11?,12?/m0/s1
InChIKeyAIHXMURKQCWCPV-GCVQQVDUSA-N
MW342.32 g/mol
LogP0.91
Rot. Bonds8

About 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid

5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid (PubChem CID 69129405) has the molecular formula C15H19FN2O6 and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid
PubChem CID69129405
Molecular FormulaC15H19FN2O6
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid
SMILESC[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(O)CF
InChIInChI=1S/C15H19FN2O6/c1-9(24-15(23)17-10-5-3-2-4-6-10)14(22)18-11(7-13(20)21)12(19)8-16/h2-6,9,11-12,19H,7-8H2,1H3,(H,17,23)(H,18,22)(H,20,21)/t9-,11?,12?/m0/s1
InChIKeyAIHXMURKQCWCPV-GCVQQVDUSA-N
XLogP0.91
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid with MolForge

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Related Compounds

5-fluoro-4-hydroxy-3-[2-(phenylcarbamoyloxy)propanoylamino]pentanoic acid
CID 69129406
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
4-anilino-3-methyl-4-oxobutanoic acid;ethane
CID 90916369
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate
CID 166386432
3-[(2-aminobenzoyl)amino]-5-fluoro-4-hydroxypentanoic acid
CID 174450415
[1-[[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl] N-(3-fluorophenyl)carbamate
CID 143383152
3-methylbutyl N-phenylcarbamate
CID 69480810
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid?
The IUPAC name of 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid (CID 69129405) is 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid.
What is the SMILES notation for 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid?
The canonical SMILES for 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid is C[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(O)CF.
What is the InChIKey of 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid?
The InChIKey is AIHXMURKQCWCPV-GCVQQVDUSA-N. The full InChI is InChI=1S/C15H19FN2O6/c1-9(24-15(23)17-10-5-3-2-4-6-10)14(22)18-11(7-13(20)21)12(19)8-16/h2-6,9,11-12,19H,7-8H2,1H3,(H,17,23)(H,18,22)(H,20,21)/t9-,11?,12?/m0/s1.
What are the key properties of 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid?
5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid has a molecular weight of 342.32 g/mol, XLogP of 0.91, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-3-[[(2S)-2-(phenylcarbamoyloxy)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 69129405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).