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

C14H19NO6P- — CID 7367506

IUPAC(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate
SMILESO=C([O-])[C@@H](Cc1ccco1)P(=O)(O)CN1CCCCCC1=O
InChIInChI=1S/C14H20NO6P/c16-13-6-2-1-3-7-15(13)10-22(19,20)12(14(17)18)9-11-5-4-8-21-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,17,18)(H,19,20)/p-1/t12-/m1/s1
InChIKeySGNIYHCKWUQXKT-GFCCVEGCSA-M
MW328.28 g/mol
LogP0.57
Rot. Bonds6

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

(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate (PubChem CID 7367506) has the molecular formula C14H19NO6P- and a molecular weight of 328.28 g/mol. Its IUPAC name is (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate.

Molecular Properties

Compound Name(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate
PubChem CID7367506
Molecular FormulaC14H19NO6P-
Molecular Weight328.28 g/mol
Exact Mass328.10
IUPAC Name(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate
SMILESO=C([O-])[C@@H](Cc1ccco1)P(=O)(O)CN1CCCCCC1=O
InChIInChI=1S/C14H20NO6P/c16-13-6-2-1-3-7-15(13)10-22(19,20)12(14(17)18)9-11-5-4-8-21-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,17,18)(H,19,20)/p-1/t12-/m1/s1
InChIKeySGNIYHCKWUQXKT-GFCCVEGCSA-M
XLogP0.57
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.57
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-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate
CID 6985209
(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
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
2-[(dimethylamino)methyl-oxidophosphoryl]-3-(furan-2-yl)propanoate
CID 3362643
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415
N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 9218953
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
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate?
The IUPAC name of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate (CID 7367506) is (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate.
What is the SMILES notation for (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate?
The canonical SMILES for (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate is O=C([O-])[C@@H](Cc1ccco1)P(=O)(O)CN1CCCCCC1=O.
What is the InChIKey of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate?
The InChIKey is SGNIYHCKWUQXKT-GFCCVEGCSA-M. The full InChI is InChI=1S/C14H20NO6P/c16-13-6-2-1-3-7-15(13)10-22(19,20)12(14(17)18)9-11-5-4-8-21-11/h4-5,8,12H,1-3,6-7,9-10H2,(H,17,18)(H,19,20)/p-1/t12-/m1/s1.
What are the key properties of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate?
(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate has a molecular weight of 328.28 g/mol, XLogP of 0.57, 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-oxoazepan-1-yl)methyl]phosphoryl]propanoate is sourced from PubChem (CID 7367506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).