propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate

C22H24FNO3 — CID 134009754

IUPACpropan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CC1c1ccccc1F)c1ccccc1
InChIInChI=1S/C22H24FNO3/c1-14(2)27-21(25)13-20(15-8-4-3-5-9-15)24-22(26)18-12-17(18)16-10-6-7-11-19(16)23/h3-11,14,17-18,20H,12-13H2,1-2H3,(H,24,26)
InChIKeyRWNSOYUJGGPVPB-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.13
Rot. Bonds7

About propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate (PubChem CID 134009754) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
PubChem CID134009754
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Namepropan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CC1c1ccccc1F)c1ccccc1
InChIInChI=1S/C22H24FNO3/c1-14(2)27-21(25)13-20(15-8-4-3-5-9-15)24-22(26)18-12-17(18)16-10-6-7-11-19(16)23/h3-11,14,17-18,20H,12-13H2,1-2H3,(H,24,26)
InChIKeyRWNSOYUJGGPVPB-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55474994
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 55439728
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
propan-2-yl 3-(2-nitrophenyl)-3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoate
CID 134009747
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218893
propan-2-yl (3R)-3-[[(2S)-6-azaspiro[2.5]octane-2-carbonyl]amino]-3-phenylpropanoate
CID 99640689
(3S)-3-[[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 97310726
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate (CID 134009754) is propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)C1CC1c1ccccc1F)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate?
The InChIKey is RWNSOYUJGGPVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-14(2)27-21(25)13-20(15-8-4-3-5-9-15)24-22(26)18-12-17(18)16-10-6-7-11-19(16)23/h3-11,14,17-18,20H,12-13H2,1-2H3,(H,24,26).
What are the key properties of propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate has a molecular weight of 369.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 134009754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).