[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate

C20H21FN2O4 — CID 9270039

IUPAC[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESC[C@H](CNC(=O)COC(=O)CNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-14(15-7-3-2-4-8-15)11-22-18(24)13-27-19(25)12-23-20(26)16-9-5-6-10-17(16)21/h2-10,14H,11-13H2,1H3,(H,22,24)(H,23,26)/t14-/m1/s1
InChIKeyVJRYNJVFZGQVTP-CQSZACIVSA-N
MW372.40 g/mol
LogP2.02
Rot. Bonds8

About [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270039) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270039
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESC[C@H](CNC(=O)COC(=O)CNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-14(15-7-3-2-4-8-15)11-22-18(24)13-27-19(25)12-23-20(26)16-9-5-6-10-17(16)21/h2-10,14H,11-13H2,1H3,(H,22,24)(H,23,26)/t14-/m1/s1
InChIKeyVJRYNJVFZGQVTP-CQSZACIVSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270550
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573479
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 42959561
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843451
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 42910698
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270269
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799608
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4803693

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9270039) is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate is C[C@H](CNC(=O)COC(=O)CNC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is VJRYNJVFZGQVTP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-14(15-7-3-2-4-8-15)11-22-18(24)13-27-19(25)12-23-20(26)16-9-5-6-10-17(16)21/h2-10,14H,11-13H2,1H3,(H,22,24)(H,23,26)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 372.40 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).