(2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid

C20H20N2O5 — CID 119367652

About (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 119367652) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

• Compound Name: (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
• PubChem CID: 119367652
• Molecular Formula: C20H20N2O5
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.14
• IUPAC Name: (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
• SMILES: CC1(C)CC(=O)c2cc(C(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)[nH]c2C1
• InChI: InChI=1S/C20H20N2O5/c1-20(2)9-14-12(15(23)10-20)8-13(17(24)21-14)18(25)22-16(19(26)27)11-6-4-3-5-7-11/h3-8,16H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)/t16-/m1/s1
• InChIKey: PVGOELHADBMYFP-MRXNPFEDSA-N
• XLogP: 2.09
• TPSA: 116.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?

The IUPAC name of (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid (CID 119367652) is (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid.

What is the SMILES notation for (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?

The canonical SMILES for (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid is CC1(C)CC(=O)c2cc(C(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)[nH]c2C1.

What is the InChIKey of (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?

The InChIKey is PVGOELHADBMYFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-20(2)9-14-12(15(23)10-20)8-13(17(24)21-14)18(25)22-16(19(26)27)11-6-4-3-5-7-11/h3-8,16H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)/t16-/m1/s1.

What are the key properties of (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?

(2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 119367652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).