2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate

C19H34N3O9P — CID 129226830

About 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate

2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (PubChem CID 129226830) has the molecular formula C19H34N3O9P and a molecular weight of 479.47 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate.

Molecular Properties

• Compound Name: 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate
• PubChem CID: 129226830
• Molecular Formula: C19H34N3O9P
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.20
• IUPAC Name: 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate
• SMILES: COC(=O)CCNC(=O)[C@@H]1OP(=O)(N[C@@H](C)C(=O)OCCN2CCOCC2)OCC1(C)C
• InChI: InChI=1S/C19H34N3O9P/c1-14(18(25)29-12-9-22-7-10-28-11-8-22)21-32(26)30-13-19(2,3)16(31-32)17(24)20-6-5-15(23)27-4/h14,16H,5-13H2,1-4H3,(H,20,24)(H,21,26)/t14-,16-,32?/m0/s1
• InChIKey: UXSOPJOBNCJIPA-KZDHSASYSA-N
• XLogP: 0.07
• TPSA: 141.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate?

The IUPAC name of 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (CID 129226830) is 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate.

What is the SMILES notation for 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate?

The canonical SMILES for 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate is COC(=O)CCNC(=O)[C@@H]1OP(=O)(N[C@@H](C)C(=O)OCCN2CCOCC2)OCC1(C)C.

What is the InChIKey of 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate?

The InChIKey is UXSOPJOBNCJIPA-KZDHSASYSA-N. The full InChI is InChI=1S/C19H34N3O9P/c1-14(18(25)29-12-9-22-7-10-28-11-8-22)21-32(26)30-13-19(2,3)16(31-32)17(24)20-6-5-15(23)27-4/h14,16H,5-13H2,1-4H3,(H,20,24)(H,21,26)/t14-,16-,32?/m0/s1.

What are the key properties of 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate?

2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate has a molecular weight of 479.47 g/mol, XLogP of 0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-morpholin-4-ylethyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate is sourced from PubChem (CID 129226830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).