(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate

C12H15NO6P- — CID 6985209

IUPAC(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate
SMILESO=C([O-])[C@@H](Cc1ccco1)P(=O)(O)CN1CCCC1=O
InChIInChI=1S/C12H16NO6P/c14-11-4-1-5-13(11)8-20(17,18)10(12(15)16)7-9-3-2-6-19-9/h2-3,6,10H,1,4-5,7-8H2,(H,15,16)(H,17,18)/p-1/t10-/m1/s1
InChIKeyQXEQZJCLHZJHSJ-SNVBAGLBSA-M
MW300.23 g/mol
LogP-0.21
Rot. Bonds6

About (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate

(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate (PubChem CID 6985209) has the molecular formula C12H15NO6P- and a molecular weight of 300.23 g/mol. Its IUPAC name is (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate.

Molecular Properties

Compound Name(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate
PubChem CID6985209
Molecular FormulaC12H15NO6P-
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate
SMILESO=C([O-])[C@@H](Cc1ccco1)P(=O)(O)CN1CCCC1=O
InChIInChI=1S/C12H16NO6P/c14-11-4-1-5-13(11)8-20(17,18)10(12(15)16)7-9-3-2-6-19-9/h2-3,6,10H,1,4-5,7-8H2,(H,15,16)(H,17,18)/p-1/t10-/m1/s1
InChIKeyQXEQZJCLHZJHSJ-SNVBAGLBSA-M
XLogP-0.21
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate
CID 7367506
(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid
CID 1418161
3-(furan-2-yl)-2-[oxido(piperidin-1-ylmethyl)phosphoryl]propanoate
CID 3782681
2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid
CID 2854370
2-[(dimethylamino)methyl-oxidophosphoryl]-3-(furan-2-yl)propanoate
CID 3362643
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 47008497
2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate
CID 4597985
1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2211945
2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile
CID 11323212

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate?
The IUPAC name of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate (CID 6985209) is (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate.
What is the SMILES notation for (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate?
The canonical SMILES for (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate is O=C([O-])[C@@H](Cc1ccco1)P(=O)(O)CN1CCCC1=O.
What is the InChIKey of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate?
The InChIKey is QXEQZJCLHZJHSJ-SNVBAGLBSA-M. The full InChI is InChI=1S/C12H16NO6P/c14-11-4-1-5-13(11)8-20(17,18)10(12(15)16)7-9-3-2-6-19-9/h2-3,6,10H,1,4-5,7-8H2,(H,15,16)(H,17,18)/p-1/t10-/m1/s1.
What are the key properties of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate?
(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate has a molecular weight of 300.23 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate is sourced from PubChem (CID 6985209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).