propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate

C17H23FN2O3 — CID 75469421

IUPACpropan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1(F)CCNC1)c1ccccc1
InChIInChI=1S/C17H23FN2O3/c1-12(2)23-15(21)10-14(13-6-4-3-5-7-13)20-16(22)17(18)8-9-19-11-17/h3-7,12,14,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyZPANXBHZNWLSIM-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.89
Rot. Bonds6

About propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate

propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate (PubChem CID 75469421) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
PubChem CID75469421
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Namepropan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1(F)CCNC1)c1ccccc1
InChIInChI=1S/C17H23FN2O3/c1-12(2)23-15(21)10-14(13-6-4-3-5-7-13)20-16(22)17(18)8-9-19-11-17/h3-7,12,14,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyZPANXBHZNWLSIM-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (3R)-3-[[(2S)-6-azaspiro[2.5]octane-2-carbonyl]amino]-3-phenylpropanoate
CID 99640689
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 63131193
propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 55439728
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 134009754
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 46516380
propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate (CID 75469421) is propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)C1(F)CCNC1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is ZPANXBHZNWLSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(2)23-15(21)10-14(13-6-4-3-5-7-13)20-16(22)17(18)8-9-19-11-17/h3-7,12,14,19H,8-11H2,1-2H3,(H,20,22).
What are the key properties of propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate?
propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 322.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 75469421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).