2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid

C22H22FN3O5 — CID 4911015

IUPAC2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C22H22FN3O5/c23-16-6-8-17(9-7-16)26-13-15(11-19(26)27)21(30)25-18(22(31)24-12-20(28)29)10-14-4-2-1-3-5-14/h1-9,15,18H,10-13H2,(H,24,31)(H,25,30)(H,28,29)
InChIKeyPVOGKBBYPZVOCL-UHFFFAOYSA-N
MW427.43 g/mol
LogP1.11
Rot. Bonds8

About 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid

2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid (PubChem CID 4911015) has the molecular formula C22H22FN3O5 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
PubChem CID4911015
Molecular FormulaC22H22FN3O5
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C22H22FN3O5/c23-16-6-8-17(9-7-16)26-13-15(11-19(26)27)21(30)25-18(22(31)24-12-20(28)29)10-14-4-2-1-3-5-14/h1-9,15,18H,10-13H2,(H,24,31)(H,25,30)(H,28,29)
InChIKeyPVOGKBBYPZVOCL-UHFFFAOYSA-N
XLogP1.11
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid with MolForge

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Related Compounds

(3S)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39350752
5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 42654320
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 108803627
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3S)-5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 39351792
5-oxo-N-[1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 74827580
(3S)-N-[(1R)-1,2-diphenylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 93017480
(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid
CID 133269506
(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017432
2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 7094115

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid (CID 4911015) is 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid is O=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
The InChIKey is PVOGKBBYPZVOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5/c23-16-6-8-17(9-7-16)26-13-15(11-19(26)27)21(30)25-18(22(31)24-12-20(28)29)10-14-4-2-1-3-5-14/h1-9,15,18H,10-13H2,(H,24,31)(H,25,30)(H,28,29).
What are the key properties of 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid has a molecular weight of 427.43 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid is sourced from PubChem (CID 4911015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).