2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid

C14H18NO5P — CID 2854370

IUPAC2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)P(=O)(O)CN1CCCC1=O
InChIInChI=1S/C14H18NO5P/c16-13-7-4-8-15(13)10-21(19,20)12(14(17)18)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)(H,19,20)
InChIKeyXHUZUZQHNKAOQP-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.53
Rot. Bonds6

About 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid

2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid (PubChem CID 2854370) has the molecular formula C14H18NO5P and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid
PubChem CID2854370
Molecular FormulaC14H18NO5P
Molecular Weight311.27 g/mol
Exact Mass311.09
IUPAC Name2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)P(=O)(O)CN1CCCC1=O
InChIInChI=1S/C14H18NO5P/c16-13-7-4-8-15(13)10-21(19,20)12(14(17)18)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)(H,19,20)
InChIKeyXHUZUZQHNKAOQP-UHFFFAOYSA-N
XLogP1.53
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]propanoic acid
CID 1418161
(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-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70784494
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107861264
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102673706
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylpropanoic acid
CID 60794331
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid?
The IUPAC name of 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid (CID 2854370) is 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)P(=O)(O)CN1CCCC1=O.
What is the InChIKey of 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid?
The InChIKey is XHUZUZQHNKAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO5P/c16-13-7-4-8-15(13)10-21(19,20)12(14(17)18)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid?
2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid has a molecular weight of 311.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]-3-phenylpropanoic acid is sourced from PubChem (CID 2854370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).