(3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C30H47ClN3O8P — CID 156883725

About (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

(3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 156883725) has the molecular formula C30H47ClN3O8P and a molecular weight of 644.15 g/mol. Its IUPAC name is (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 156883725
• Molecular Formula: C30H47ClN3O8P
• Molecular Weight: 644.15 g/mol
• Exact Mass: 643.28
• IUPAC Name: (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CCOP(=O)(OCC)C(O)C(CC1CC2(CCCCC2)NC1=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1cccc(Cl)c1
• InChI: InChI=1S/C30H47ClN3O8P/c1-5-41-43(39,42-6-2)28(37)25(17-22-18-30(34-26(22)35)13-8-7-9-14-30)32-27(36)24(15-20(3)4)33-29(38)40-19-21-11-10-12-23(31)16-21/h10-12,16,20,22,24-25,28,37H,5-9,13-15,17-19H2,1-4H3,(H,32,36)(H,33,38)(H,34,35)/t22?,24-,25?,28?/m1/s1
• InChIKey: DHGGSKDOHVNJTH-ISNGWWJUSA-N
• XLogP: 5.28
• TPSA: 152.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.15
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 156883725) is (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CCOP(=O)(OCC)C(O)C(CC1CC2(CCCCC2)NC1=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1cccc(Cl)c1.

What is the InChIKey of (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is DHGGSKDOHVNJTH-ISNGWWJUSA-N. The full InChI is InChI=1S/C30H47ClN3O8P/c1-5-41-43(39,42-6-2)28(37)25(17-22-18-30(34-26(22)35)13-8-7-9-14-30)32-27(36)24(15-20(3)4)33-29(38)40-19-21-11-10-12-23(31)16-21/h10-12,16,20,22,24-25,28,37H,5-9,13-15,17-19H2,1-4H3,(H,32,36)(H,33,38)(H,34,35)/t22?,24-,25?,28?/m1/s1.

What are the key properties of (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

(3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 644.15 g/mol, XLogP of 5.28, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 156883725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).