(3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol

C90H154ClN14O16P3 — CID 167670361

About (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol

(3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol (PubChem CID 167670361) has the molecular formula C90H154ClN14O16P3 and a molecular weight of 1816.68 g/mol. Its IUPAC name is (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol
• PubChem CID: 167670361
• Molecular Formula: C90H154ClN14O16P3
• Molecular Weight: 1816.68 g/mol
• Exact Mass: 1815.06
• IUPAC Name: (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol
• SMILES: C.C.CCN(CC)CC.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1OP1OC2(CCCC2)[C@@H]2CCCCN21.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O[P@@]1OC2(CCCC2)[C@@H]2CCCCN21.ClP1OC2(CCCC2)[C@@H]2CCCCN21.OC1([C@@H]2CCCCN2)CCCC1
• InChI: InChI=1S/2C24H37N4O5P.C14H21N3O4.C10H17ClNOP.C10H19NO.C6H15N.2CH4/c2*1-4-17-18(32-34-28-13-8-5-9-19(28)24(33-34)11-6-7-12-24)15-21(31-17)27-14-10-20(26-23(27)30)25-22(29)16(2)3;1-4-10-9(18)7-12(21-10)17-6-5-11(16-14(17)20)15-13(19)8(2)3;11-14-12-8-4-1-5-9(12)10(13-14)6-2-3-7-10;12-10(6-2-3-7-10)9-5-1-4-8-11-9;1-4-7(5-2)6-3;;/h2*10,14,16-19,21H,4-9,11-13,15H2,1-3H3,(H,25,26,29,30);5-6,8-10,12,18H,4,7H2,1-3H3,(H,15,16,19,20);9H,1-8H2;9,11-12H,1-8H2;4-6H2,1-3H3;2*1H4/t17-,18?,19+,21-,34?;17-,18?,19+,21-,34+;9?,10-,12-;9-,14?;9-;;;/m11100.../s1
• InChIKey: TZWTZDYTSMMJSY-VRYOVAMUSA-N
• XLogP: 17.29
• TPSA: 331.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1816.68
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol?

The IUPAC name of (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol (CID 167670361) is (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol.

What is the SMILES notation for (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol?

The canonical SMILES for (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol is C.C.CCN(CC)CC.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1OP1OC2(CCCC2)[C@@H]2CCCCN21.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O[P@@]1OC2(CCCC2)[C@@H]2CCCCN21.ClP1OC2(CCCC2)[C@@H]2CCCCN21.OC1([C@@H]2CCCCN2)CCCC1.

What is the InChIKey of (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol?

The InChIKey is TZWTZDYTSMMJSY-VRYOVAMUSA-N. The full InChI is InChI=1S/2C24H37N4O5P.C14H21N3O4.C10H17ClNOP.C10H19NO.C6H15N.2CH4/c2*1-4-17-18(32-34-28-13-8-5-9-19(28)24(33-34)11-6-7-12-24)15-21(31-17)27-14-10-20(26-23(27)30)25-22(29)16(2)3;1-4-10-9(18)7-12(21-10)17-6-5-11(16-14(17)20)15-13(19)8(2)3;11-14-12-8-4-1-5-9(12)10(13-14)6-2-3-7-10;12-10(6-2-3-7-10)9-5-1-4-8-11-9;1-4-7(5-2)6-3;;/h2*10,14,16-19,21H,4-9,11-13,15H2,1-3H3,(H,25,26,29,30);5-6,8-10,12,18H,4,7H2,1-3H3,(H,15,16,19,20);9H,1-8H2;9,11-12H,1-8H2;4-6H2,1-3H3;2*1H4/t17-,18?,19+,21-,34?;17-,18?,19+,21-,34+;9?,10-,12-;9-,14?;9-;;;/m11100.../s1.

What are the key properties of (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol?

(3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 1816.68 g/mol, XLogP of 17.29, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS)-1-chlorospiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,5R)-4-[(3aS)-spiro[4,5,6,7-tetrahydro-3aH-[1,3,2]oxazaphospholo[3,4-a]pyridine-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2S)-piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 167670361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).