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

C18H30N3O9P — CID 137360628

IUPAC[(2R)-5-oxopyrrolidin-2-yl]methyl 2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@@H]1OP(=O)(NC(C)C(=O)OC[C@H]2CCC(=O)N2)OCC1(C)C
InChIInChI=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?/m1/s1
InChIKeyIWINTUSTXBLNTJ-FQUUHEKSSA-N
MW463.42 g/mol
LogP0.02
Rot. Bonds9

About [(2R)-5-oxopyrrolidin-2-yl]methyl 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 2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (PubChem CID 137360628) has the molecular formula C18H30N3O9P and a molecular weight of 463.42 g/mol. Its IUPAC name is [(2R)-5-oxopyrrolidin-2-yl]methyl 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 2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate
PubChem CID137360628
Molecular FormulaC18H30N3O9P
Molecular Weight463.42 g/mol
Exact Mass463.17
IUPAC Name[(2R)-5-oxopyrrolidin-2-yl]methyl 2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@@H]1OP(=O)(NC(C)C(=O)OC[C@H]2CCC(=O)N2)OCC1(C)C
InChIInChI=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?/m1/s1
InChIKeyIWINTUSTXBLNTJ-FQUUHEKSSA-N
XLogP0.02
TPSA158.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

CID 129218292
CID 129218292
CID 129218294
CID 129218294
CID 129218296
CID 129218296
CID 129218435
CID 129218435
CID 129226394
CID 129226394
CID 129226480
CID 129226480
CID 129226641
CID 129226641
CID 129226643
CID 129226643
CID 129226677
CID 129226677
CID 129226720
CID 129226720
CID 129226827
CID 129226827
CID 129227099
CID 129227099

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-oxopyrrolidin-2-yl]methyl 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 2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (CID 137360628) is [(2R)-5-oxopyrrolidin-2-yl]methyl 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 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 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)(NC(C)C(=O)OC[C@H]2CCC(=O)N2)OCC1(C)C.
What is the InChIKey of [(2R)-5-oxopyrrolidin-2-yl]methyl 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-FQUUHEKSSA-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?/m1/s1.
What are the key properties of [(2R)-5-oxopyrrolidin-2-yl]methyl 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 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 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 137360628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).