[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium

C22H27N2O3+ — CID 2273374

IUPAC[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium
SMILESCCCOc1ccc(N2C(=O)C[C@H]([NH2+][C@H](C)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-3-13-27-19-11-9-18(10-12-19)24-21(25)15-20(22(24)26)23-16(2)14-17-7-5-4-6-8-17/h4-12,16,20,23H,3,13-15H2,1-2H3/p+1/t16-,20+/m1/s1
InChIKeyUCQGLPIPPACENZ-UZLBHIALSA-O
MW367.47 g/mol
LogP2.30
Rot. Bonds8

About [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium

[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium (PubChem CID 2273374) has the molecular formula C22H27N2O3+ and a molecular weight of 367.47 g/mol. Its IUPAC name is [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium
PubChem CID2273374
Molecular FormulaC22H27N2O3+
Molecular Weight367.47 g/mol
Exact Mass367.20
IUPAC Name[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium
SMILESCCCOc1ccc(N2C(=O)C[C@H]([NH2+][C@H](C)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-3-13-27-19-11-9-18(10-12-19)24-21(25)15-20(22(24)26)23-16(2)14-17-7-5-4-6-8-17/h4-12,16,20,23H,3,13-15H2,1-2H3/p+1/t16-,20+/m1/s1
InChIKeyUCQGLPIPPACENZ-UZLBHIALSA-O
XLogP2.30
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2S)-1-phenylpropan-2-yl]azanium
CID 2273370
[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 2273222
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(2-hydroxy-2-phenylethyl)azanium
CID 3436791
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium
CID 7034592
(3R)-3-[4-(2-phenylethyl)piperazine-1,4-diium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7348188
(3R)-3-[4-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7986469
2-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanylacetic acid
CID 2053267
benzyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 7329798
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
1-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-methyl-1-(2-phenylethyl)thiourea
CID 98370570

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium?
The IUPAC name of [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium (CID 2273374) is [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium?
The canonical SMILES for [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium is CCCOc1ccc(N2C(=O)C[C@H]([NH2+][C@H](C)Cc3ccccc3)C2=O)cc1.
What is the InChIKey of [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium?
The InChIKey is UCQGLPIPPACENZ-UZLBHIALSA-O. The full InChI is InChI=1S/C22H26N2O3/c1-3-13-27-19-11-9-18(10-12-19)24-21(25)15-20(22(24)26)23-16(2)14-17-7-5-4-6-8-17/h4-12,16,20,23H,3,13-15H2,1-2H3/p+1/t16-,20+/m1/s1.
What are the key properties of [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium?
[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium has a molecular weight of 367.47 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 2273374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).