cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C18H21ClN2O4 — CID 120679019

About cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120679019) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120679019
• Molecular Formula: C18H21ClN2O4
• Molecular Weight: 364.83 g/mol
• Exact Mass: 364.12
• IUPAC Name: cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: CN1C(=O)CC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1c1cccc(Cl)c1
• InChI: InChI=1S/C18H21ClN2O4/c1-21-15(22)9-14(16(21)10-3-2-4-12(19)7-10)17(23)20-13-6-5-11(8-13)18(24)25/h2-4,7,11,13-14,16H,5-6,8-9H2,1H3,(H,20,23)(H,24,25)/t11-,13+,14?,16?/m1/s1
• InChIKey: YJWMYZVYXMCZMY-WFBWGFEFSA-N
• XLogP: 2.23
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.83
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120679019) is cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is CN1C(=O)CC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1c1cccc(Cl)c1.

What is the InChIKey of cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is YJWMYZVYXMCZMY-WFBWGFEFSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-21-15(22)9-14(16(21)10-3-2-4-12(19)7-10)17(23)20-13-6-5-11(8-13)18(24)25/h2-4,7,11,13-14,16H,5-6,8-9H2,1H3,(H,20,23)(H,24,25)/t11-,13+,14?,16?/m1/s1.

What are the key properties of cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 364.83 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).