cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide

C18H27N3O2 — CID 125135335

About cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 125135335) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
• PubChem CID: 125135335
• Molecular Formula: C18H27N3O2
• Molecular Weight: 317.43 g/mol
• Exact Mass: 317.21
• IUPAC Name: cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
• SMILES: COc1ccccc1N1CC[C@H](CNC(=O)[C@@H]2CC[C@H](N)C2)C1
• InChI: InChI=1S/C18H27N3O2/c1-23-17-5-3-2-4-16(17)21-9-8-13(12-21)11-20-18(22)14-6-7-15(19)10-14/h2-5,13-15H,6-12,19H2,1H3,(H,20,22)/t13-,14-,15+/m1/s1
• InChIKey: VATUMIJVAUUKHW-KFWWJZLASA-N
• XLogP: 1.77
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.43
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?

The IUPAC name of cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (CID 125135335) is cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?

The canonical SMILES for cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is COc1ccccc1N1CC[C@H](CNC(=O)[C@@H]2CC[C@H](N)C2)C1.

What is the InChIKey of cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?

The InChIKey is VATUMIJVAUUKHW-KFWWJZLASA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-17-5-3-2-4-16(17)21-9-8-13(12-21)11-20-18(22)14-6-7-15(19)10-14/h2-5,13-15H,6-12,19H2,1H3,(H,20,22)/t13-,14-,15+/m1/s1.

What are the key properties of cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?

cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 125135335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).