(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid

C17H22N2O4 — CID 119370329

IUPAC(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCCCc1ccc(N2CC(C(=O)N[C@H](C)C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-3-4-12-5-7-14(8-6-12)19-10-13(9-15(19)20)16(21)18-11(2)17(22)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,21)(H,22,23)/t11-,13?/m1/s1
InChIKeyPZSSSCVAPPBCCY-JTDNENJMSA-N
MW318.37 g/mol
LogP1.58
Rot. Bonds6

About (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid

(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 119370329) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID119370329
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCCCc1ccc(N2CC(C(=O)N[C@H](C)C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-3-4-12-5-7-14(8-6-12)19-10-13(9-15(19)20)16(21)18-11(2)17(22)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,21)(H,22,23)/t11-,13?/m1/s1
InChIKeyPZSSSCVAPPBCCY-JTDNENJMSA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 108791060
1-(4-ethylphenyl)-5-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 46820263
(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid
CID 133269506
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120688398
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(2R)-2-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119243981
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 119370329) is (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid is CCCc1ccc(N2CC(C(=O)N[C@H](C)C(=O)O)CC2=O)cc1.
What is the InChIKey of (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is PZSSSCVAPPBCCY-JTDNENJMSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-4-12-5-7-14(8-6-12)19-10-13(9-15(19)20)16(21)18-11(2)17(22)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,21)(H,22,23)/t11-,13?/m1/s1.
What are the key properties of (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 318.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119370329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).