cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C19H24N2O5 — CID 120679068

About cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120679068) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120679068
• Molecular Formula: C19H24N2O5
• Molecular Weight: 360.41 g/mol
• Exact Mass: 360.17
• IUPAC Name: cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: COc1ccc(CN2CC(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)CC2=O)cc1
• InChI: InChI=1S/C19H24N2O5/c1-26-16-6-2-12(3-7-16)10-21-11-14(9-17(21)22)18(23)20-15-5-4-13(8-15)19(24)25/h2-3,6-7,13-15H,4-5,8-11H2,1H3,(H,20,23)(H,24,25)/t13-,14?,15+/m1/s1
• InChIKey: HRMXWAPBDYHYIG-LOWNFYCTSA-N
• XLogP: 1.41
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.41
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120679068) is cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is COc1ccc(CN2CC(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)CC2=O)cc1.

What is the InChIKey of cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is HRMXWAPBDYHYIG-LOWNFYCTSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-26-16-6-2-12(3-7-16)10-21-11-14(9-17(21)22)18(23)20-15-5-4-13(8-15)19(24)25/h2-3,6-7,13-15H,4-5,8-11H2,1H3,(H,20,23)(H,24,25)/t13-,14?,15+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).