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

C12H16NO6P — CID 1418161

IUPAC(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid
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)/t10-/m1/s1
InChIKeyQXEQZJCLHZJHSJ-SNVBAGLBSA-N
MW301.23 g/mol
LogP1.13
Rot. Bonds6

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

(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid (PubChem CID 1418161) has the molecular formula C12H16NO6P and a molecular weight of 301.23 g/mol. Its IUPAC name is (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid
PubChem CID1418161
Molecular FormulaC12H16NO6P
Molecular Weight301.23 g/mol
Exact Mass301.07
IUPAC Name(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid
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)/t10-/m1/s1
InChIKeyQXEQZJCLHZJHSJ-SNVBAGLBSA-N
XLogP1.13
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-oxoazepan-1-yl)methyl]phosphoryl]propanoate
CID 7367506
2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid
CID 2854370
3-(furan-2-yl)-2-[oxido(piperidin-1-ylmethyl)phosphoryl]propanoate
CID 3782681
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
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
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
4-(furan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015329

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid?
The IUPAC name of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid (CID 1418161) is (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid.
What is the SMILES notation for (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid?
The canonical SMILES for (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid 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]propanoic acid?
The InChIKey is QXEQZJCLHZJHSJ-SNVBAGLBSA-N. 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)/t10-/m1/s1.
What are the key properties of (2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid?
(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid has a molecular weight of 301.23 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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]propanoic acid is sourced from PubChem (CID 1418161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).