(3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid

C24H31N5O4 — CID 70140081

IUPAC(3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid
SMILESO=C(O)C[C@H](c1ccc2c(n1)OCC2)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O
InChIInChI=1S/C24H31N5O4/c30-21(31)15-20(19-8-6-17-9-14-33-23(17)27-19)29-13-12-28(24(29)32)11-2-4-18-7-5-16-3-1-10-25-22(16)26-18/h5-8,20,22,25-26H,1-4,9-15H2,(H,30,31)/t20-,22?/m1/s1
InChIKeyWMFXDEGKGJKHSF-PSDZMVHGSA-N
MW453.54 g/mol
LogP2.17
Rot. Bonds8

About (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid

(3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid (PubChem CID 70140081) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid
PubChem CID70140081
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name(3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid
SMILESO=C(O)C[C@H](c1ccc2c(n1)OCC2)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O
InChIInChI=1S/C24H31N5O4/c30-21(31)15-20(19-8-6-17-9-14-33-23(17)27-19)29-13-12-28(24(29)32)11-2-4-18-7-5-16-3-1-10-25-22(16)26-18/h5-8,20,22,25-26H,1-4,9-15H2,(H,30,31)/t20-,22?/m1/s1
InChIKeyWMFXDEGKGJKHSF-PSDZMVHGSA-N
XLogP2.17
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid?
The IUPAC name of (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid (CID 70140081) is (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid.
What is the SMILES notation for (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid?
The canonical SMILES for (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid is O=C(O)C[C@H](c1ccc2c(n1)OCC2)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O.
What is the InChIKey of (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid?
The InChIKey is WMFXDEGKGJKHSF-PSDZMVHGSA-N. The full InChI is InChI=1S/C24H31N5O4/c30-21(31)15-20(19-8-6-17-9-14-33-23(17)27-19)29-13-12-28(24(29)32)11-2-4-18-7-5-16-3-1-10-25-22(16)26-18/h5-8,20,22,25-26H,1-4,9-15H2,(H,30,31)/t20-,22?/m1/s1.
What are the key properties of (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid?
(3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid has a molecular weight of 453.54 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)propanoic acid is sourced from PubChem (CID 70140081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).