5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

C16H19ClN2O4 — CID 119234476

IUPAC5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H19ClN2O4/c17-12-4-6-13(7-5-12)19-10-11(9-14(19)20)16(23)18-8-2-1-3-15(21)22/h4-7,11H,1-3,8-10H2,(H,18,23)(H,21,22)
InChIKeyLHPFQJOYICDPTJ-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.06
Rot. Bonds7

About 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119234476) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID119234476
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H19ClN2O4/c17-12-4-6-13(7-5-12)19-10-11(9-14(19)20)16(23)18-8-2-1-3-15(21)22/h4-7,11H,1-3,8-10H2,(H,18,23)(H,21,22)
InChIKeyLHPFQJOYICDPTJ-UHFFFAOYSA-N
XLogP2.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604
5-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234133
7-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 120524006
1-(4-chlorophenyl)-N-(3-formamidopropyl)-5-oxopyrrolidine-3-carboxamide
CID 108787223
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
CID 87016245

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (CID 119234476) is 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is LHPFQJOYICDPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c17-12-4-6-13(7-5-12)19-10-11(9-14(19)20)16(23)18-8-2-1-3-15(21)22/h4-7,11H,1-3,8-10H2,(H,18,23)(H,21,22).
What are the key properties of 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 338.79 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119234476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).