(5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate

About (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate

(5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate (PubChem CID 129218435) has the molecular formula C15H26N2O8P+ and a molecular weight of 393.35 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Name	(5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate
PubChem CID	129218435
Molecular Formula	C15H26N2O8P+
Molecular Weight	393.35 g/mol
Exact Mass	393.14
IUPAC Name	(5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate
SMILES	CO[P+]1(O)OCC(C)(C)[C@H](C(=O)NCCC(=O)OCC2CCC(=O)N2)O1
InChI	InChI=1S/C15H25N2O8P/c1-15(2)9-24-26(21,22-3)25-13(15)14(20)16-7-6-12(19)23-8-10-4-5-11(18)17-10/h10,13,21H,4-9H2,1-3H3,(H-,16,17,18,20)/p+1/t10?,13-,26?/m0/s1
InChIKey	UNKYRROWLGAEFF-ZQVSTPRTSA-O
XLogP	0.07
TPSA	132.42 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.35
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate?

The IUPAC name of (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate (CID 129218435) is (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate.

What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate?

The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate is CO[P+]1(O)OCC(C)(C)[C@H](C(=O)NCCC(=O)OCC2CCC(=O)N2)O1.

What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate?

The InChIKey is UNKYRROWLGAEFF-ZQVSTPRTSA-O. The full InChI is InChI=1S/C15H25N2O8P/c1-15(2)9-24-26(21,22-3)25-13(15)14(20)16-7-6-12(19)23-8-10-4-5-11(18)17-10/h10,13,21H,4-9H2,1-3H3,(H-,16,17,18,20)/p+1/t10?,13-,26?/m0/s1.

What are the key properties of (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate?

(5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate has a molecular weight of 393.35 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxopyrrolidin-2-yl)methyl 3-[[(4R)-2-hydroxy-2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-4-carbonyl]amino]propanoate is sourced from PubChem (CID 129218435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).