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

C17H29N2O9P — CID 137360578

IUPACoxolan-3-yl (2S)-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)(N[C@@H](C)C(=O)OC2CCOC2)OCC1(C)C
InChIInChI=1S/C17H29N2O9P/c1-11(16(22)27-12-6-8-25-9-12)19-29(23)26-10-17(2,3)14(28-29)15(21)18-7-5-13(20)24-4/h11-12,14H,5-10H2,1-4H3,(H,18,21)(H,19,23)/t11-,12?,14-,29?/m0/s1
InChIKeyGNUXKTXVVODQMS-GXFPZCDVSA-N
MW436.40 g/mol
LogP0.53
Rot. Bonds8

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

oxolan-3-yl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (PubChem CID 137360578) has the molecular formula C17H29N2O9P and a molecular weight of 436.40 g/mol. Its IUPAC name is oxolan-3-yl (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 Nameoxolan-3-yl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate
PubChem CID137360578
Molecular FormulaC17H29N2O9P
Molecular Weight436.40 g/mol
Exact Mass436.16
IUPAC Nameoxolan-3-yl (2S)-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)(N[C@@H](C)C(=O)OC2CCOC2)OCC1(C)C
InChIInChI=1S/C17H29N2O9P/c1-11(16(22)27-12-6-8-25-9-12)19-29(23)26-10-17(2,3)14(28-29)15(21)18-7-5-13(20)24-4/h11-12,14H,5-10H2,1-4H3,(H,18,21)(H,19,23)/t11-,12?,14-,29?/m0/s1
InChIKeyGNUXKTXVVODQMS-GXFPZCDVSA-N
XLogP0.53
TPSA138.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl (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 oxolan-3-yl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate (CID 137360578) is oxolan-3-yl (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 oxolan-3-yl (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 oxolan-3-yl (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)OC2CCOC2)OCC1(C)C.
What is the InChIKey of oxolan-3-yl (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 GNUXKTXVVODQMS-GXFPZCDVSA-N. The full InChI is InChI=1S/C17H29N2O9P/c1-11(16(22)27-12-6-8-25-9-12)19-29(23)26-10-17(2,3)14(28-29)15(21)18-7-5-13(20)24-4/h11-12,14H,5-10H2,1-4H3,(H,18,21)(H,19,23)/t11-,12?,14-,29?/m0/s1.
What are the key properties of oxolan-3-yl (2S)-2-[[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]propanoate?
oxolan-3-yl (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 436.40 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl (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 137360578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).