(3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

C23H29N5O5 — CID 10994108

About (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

(3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 10994108) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• PubChem CID: 10994108
• Molecular Formula: C23H29N5O5
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.22
• IUPAC Name: (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• SMILES: COc1ccc([C@H](CC(=O)O)N2CCN(CC[C@@H](O)c3ccc4c(n3)NCCC4)C2=O)cn1
• InChI: InChI=1S/C23H29N5O5/c1-33-20-7-5-16(14-25-20)18(13-21(30)31)28-12-11-27(23(28)32)10-8-19(29)17-6-4-15-3-2-9-24-22(15)26-17/h4-7,14,18-19,29H,2-3,8-13H2,1H3,(H,24,26)(H,30,31)/t18-,19+/m0/s1
• InChIKey: MBRZLYPYXMLLKE-RBUKOAKNSA-N
• XLogP: 2.22
• TPSA: 128.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The IUPAC name of (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 10994108) is (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

What is the SMILES notation for (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The canonical SMILES for (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is COc1ccc([C@H](CC(=O)O)N2CCN(CC[C@@H](O)c3ccc4c(n3)NCCC4)C2=O)cn1.

What is the InChIKey of (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The InChIKey is MBRZLYPYXMLLKE-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-33-20-7-5-16(14-25-20)18(13-21(30)31)28-12-11-27(23(28)32)10-8-19(29)17-6-4-15-3-2-9-24-22(15)26-17/h4-7,14,18-19,29H,2-3,8-13H2,1H3,(H,24,26)(H,30,31)/t18-,19+/m0/s1.

What are the key properties of (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

(3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 455.52 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[3-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 10994108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).