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

C19H19N5O3 — CID 120676308

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

cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120676308) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120676308
• Molecular Formula: C19H19N5O3
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.15
• IUPAC Name: cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: Cc1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)nnn1-c1cccc2ncccc12
• InChI: InChI=1S/C19H19N5O3/c1-11-17(18(25)21-13-8-7-12(10-13)19(26)27)22-23-24(11)16-6-2-5-15-14(16)4-3-9-20-15/h2-6,9,12-13H,7-8,10H2,1H3,(H,21,25)(H,26,27)/t12-,13+/m0/s1
• InChIKey: GRUPVYWLIRHFGL-QWHCGFSZSA-N
• XLogP: 2.11
• TPSA: 110.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120676308) is cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

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

The canonical SMILES for cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)nnn1-c1cccc2ncccc12.

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

The InChIKey is GRUPVYWLIRHFGL-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-17(18(25)21-13-8-7-12(10-13)19(26)27)22-23-24(11)16-6-2-5-15-14(16)4-3-9-20-15/h2-6,9,12-13H,7-8,10H2,1H3,(H,21,25)(H,26,27)/t12-,13+/m0/s1.

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

cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).