benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate

C19H19FN2O4 — CID 2363085

IUPACbenzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H19FN2O4/c20-15-8-6-14(7-9-15)18(24)22-16(10-11-17(21)23)19(25)26-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,21,23)(H,22,24)/t16-/m0/s1
InChIKeyUWSNAJCISAMGNP-INIZCTEOSA-N
MW358.37 g/mol
LogP1.93
Rot. Bonds8

About benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate

benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate (PubChem CID 2363085) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namebenzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
PubChem CID2363085
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namebenzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H19FN2O4/c20-15-8-6-14(7-9-15)18(24)22-16(10-11-17(21)23)19(25)26-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,21,23)(H,22,24)/t16-/m0/s1
InChIKeyUWSNAJCISAMGNP-INIZCTEOSA-N
XLogP1.93
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
(S,E)-3-((S)-1-Benzyloxycarbonyl-2-phenylethylcarbamoyl)-acrylic acid ethyl ester
CID 10619827
(S)-hexyl 2-(benzyloxycarbonylamino)-5-(2-(1-benzylpiperidin-4-yl)ethylamino)-5-oxopentanoate
CID 44550607
N-cyclohexyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223159
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-fluorobenzoate
CID 2355406
[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2429922
[2-Oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2510258
[2-(Benzylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4193806
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 4875512
benzyl N-[2-(benzoylamino)-3-(4-fluorophenyl)acryloyl]glycinate
CID 5730275

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
The IUPAC name of benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate (CID 2363085) is benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate.
What is the SMILES notation for benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
The canonical SMILES for benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate is NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
The InChIKey is UWSNAJCISAMGNP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-15-8-6-14(7-9-15)18(24)22-16(10-11-17(21)23)19(25)26-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate has a molecular weight of 358.37 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate is sourced from PubChem (CID 2363085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).