(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

C30H37N3O4 — CID 158621574

About (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (PubChem CID 158621574) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
• PubChem CID: 158621574
• Molecular Formula: C30H37N3O4
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.28
• IUPAC Name: (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
• SMILES: O=C(O)[C@@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
• InChI: InChI=1S/C30H37N3O4/c34-29(32-15-13-20(14-16-32)17-23-10-9-21-5-1-3-7-26(21)31-23)22-18-33(19-22)28(30(35)36)25-6-2-4-8-27(25)37-24-11-12-24/h2,4,6,8-10,20,22,24,28H,1,3,5,7,11-19H2,(H,35,36)/t28-/m1/s1
• InChIKey: CORVNTIXQGKALF-MUUNZHRXSA-N
• XLogP: 4.04
• TPSA: 82.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

The IUPAC name of (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (CID 158621574) is (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.

What is the SMILES notation for (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

The canonical SMILES for (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is O=C(O)[C@@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.

What is the InChIKey of (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

The InChIKey is CORVNTIXQGKALF-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H37N3O4/c34-29(32-15-13-20(14-16-32)17-23-10-9-21-5-1-3-7-26(21)31-23)22-18-33(19-22)28(30(35)36)25-6-2-4-8-27(25)37-24-11-12-24/h2,4,6,8-10,20,22,24,28H,1,3,5,7,11-19H2,(H,35,36)/t28-/m1/s1.

What are the key properties of (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid has a molecular weight of 503.64 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 158621574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).