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

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

[(2R)-5-oxopyrrolidin-2-yl]methyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (PubChem CID 137360624) has the molecular formula C18H30N3O9P and a molecular weight of 463.42 g/mol. Its IUPAC name is [(2R)-5-oxopyrrolidin-2-yl]methyl (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	[(2R)-5-oxopyrrolidin-2-yl]methyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate
PubChem CID	137360624
Molecular Formula	C18H30N3O9P
Molecular Weight	463.42 g/mol
Exact Mass	463.17
IUPAC Name	[(2R)-5-oxopyrrolidin-2-yl]methyl (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)OC[C@H]2CCC(=O)N2)OCC1(C)C
InChI	InChI=1S/C18H30N3O9P/c1-11(17(25)28-9-12-5-6-13(22)20-12)21-31(26)29-10-18(2,3)15(30-31)16(24)19-8-7-14(23)27-4/h11-12,15H,5-10H2,1-4H3,(H,19,24)(H,20,22)(H,21,26)/t11-,12+,15-,31?/m0/s1
InChIKey	IWINTUSTXBLNTJ-TUZVXUHYSA-N
XLogP	0.02
TPSA	158.36 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	9
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.42
LogP ≤ 5	0.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-oxopyrrolidin-2-yl]methyl (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 [(2R)-5-oxopyrrolidin-2-yl]methyl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (CID 137360624) is [(2R)-5-oxopyrrolidin-2-yl]methyl (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 [(2R)-5-oxopyrrolidin-2-yl]methyl (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 [(2R)-5-oxopyrrolidin-2-yl]methyl (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)OC[C@H]2CCC(=O)N2)OCC1(C)C.

What is the InChIKey of [(2R)-5-oxopyrrolidin-2-yl]methyl (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 IWINTUSTXBLNTJ-TUZVXUHYSA-N. The full InChI is InChI=1S/C18H30N3O9P/c1-11(17(25)28-9-12-5-6-13(22)20-12)21-31(26)29-10-18(2,3)15(30-31)16(24)19-8-7-14(23)27-4/h11-12,15H,5-10H2,1-4H3,(H,19,24)(H,20,22)(H,21,26)/t11-,12+,15-,31?/m0/s1.

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

[(2R)-5-oxopyrrolidin-2-yl]methyl (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 463.42 g/mol, XLogP of 0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-5-oxopyrrolidin-2-yl]methyl (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 137360624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).