5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

C19H18FNO5 — CID 103819682

IUPAC5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(Cc1ccc(F)cc1)CC(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C19H18FNO5/c20-15-8-6-13(7-9-15)10-16(22)11-17(18(23)24)21-19(25)26-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,21,25)(H,23,24)
InChIKeyNGZVOJPYRWOCGG-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.71
Rot. Bonds8

About 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 103819682) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID103819682
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(Cc1ccc(F)cc1)CC(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C19H18FNO5/c20-15-8-6-13(7-9-15)10-16(22)11-17(18(23)24)21-19(25)26-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,21,25)(H,23,24)
InChIKeyNGZVOJPYRWOCGG-UHFFFAOYSA-N
XLogP2.71
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
(2S)-3-(2,4-difluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 71304179
4-(2-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 103819661
3-(5-fluoro-2-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 107701737
3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309421
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 94021235
benzyl N-[3-(4-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 141026809
[2-(4-fluorophenyl)-2-oxoethyl] (2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 126007466
(2S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18601092
2-(phenylmethoxycarbonylamino)-3-(2,4,5-trifluorophenyl)propanoic acid
CID 66639561
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
(2S)-4-methyl-2-[[4-(2-phenylacetyl)phenyl]methoxycarbonylamino]pentanoic acid
CID 101146747

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 103819682) is 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid is O=C(Cc1ccc(F)cc1)CC(NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is NGZVOJPYRWOCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c20-15-8-6-13(7-9-15)10-16(22)11-17(18(23)24)21-19(25)26-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,21,25)(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid?
5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 359.35 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 103819682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).