cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide

C19H29N3O3 — CID 124689815

About cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide

cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 124689815) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
• PubChem CID: 124689815
• Molecular Formula: C19H29N3O3
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.22
• IUPAC Name: cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
• SMILES: COc1cc2c(cc1OC)CN(CCNC(=O)[C@@H]1CCC[C@@H]1N)CC2
• InChI: InChI=1S/C19H29N3O3/c1-24-17-10-13-6-8-22(12-14(13)11-18(17)25-2)9-7-21-19(23)15-4-3-5-16(15)20/h10-11,15-16H,3-9,12,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
• InChIKey: MLVLZAJHQQECDJ-CVEARBPZSA-N
• XLogP: 1.31
• TPSA: 76.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide (CID 124689815) is cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide is COc1cc2c(cc1OC)CN(CCNC(=O)[C@@H]1CCC[C@@H]1N)CC2.

What is the InChIKey of cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide?

The InChIKey is MLVLZAJHQQECDJ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-17-10-13-6-8-22(12-14(13)11-18(17)25-2)9-7-21-19(23)15-4-3-5-16(15)20/h10-11,15-16H,3-9,12,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1.

What are the key properties of cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide?

cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-amino-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124689815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).