(2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid

C15H19NO5 — CID 168661836

IUPAC(2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid
SMILESO=C(O)[C@H](COCc1ccccc1)N1CC(CO)CC1=O
InChIInChI=1S/C15H19NO5/c17-8-12-6-14(18)16(7-12)13(15(19)20)10-21-9-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H,19,20)/t12?,13-/m0/s1
InChIKeyQOKMRQLFYDOVGF-ABLWVSNPSA-N
MW293.32 g/mol
LogP0.50
Rot. Bonds7

About (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid

(2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid (PubChem CID 168661836) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid
PubChem CID168661836
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid
SMILESO=C(O)[C@H](COCc1ccccc1)N1CC(CO)CC1=O
InChIInChI=1S/C15H19NO5/c17-8-12-6-14(18)16(7-12)13(15(19)20)10-21-9-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H,19,20)/t12?,13-/m0/s1
InChIKeyQOKMRQLFYDOVGF-ABLWVSNPSA-N
XLogP0.50
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloro-2-oxopyrrolidin-1-yl)-3-phenylmethoxypropanoic acid
CID 168687132
(2S)-5,5-dimethyl-2-[2-oxo-4-(phenylmethoxymethyl)pyrrolidin-1-yl]hexanoic acid
CID 66726130
(2S,3R)-2-hydroxy-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168661551
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
1-[fluoro(phenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 139653065
2-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661735
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168680411
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(3-hydroxyphenyl)propanoic acid
CID 168506754
(2S)-3-phenylmethoxy-2-piperidin-1-ylpropanoic acid;hydrate
CID 158256817
2-(3-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661738
4-(hydroxymethyl)-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-one
CID 168661728
methyl (2R)-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
CID 168503334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid?
The IUPAC name of (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid (CID 168661836) is (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid.
What is the SMILES notation for (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid?
The canonical SMILES for (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid is O=C(O)[C@H](COCc1ccccc1)N1CC(CO)CC1=O.
What is the InChIKey of (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid?
The InChIKey is QOKMRQLFYDOVGF-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H19NO5/c17-8-12-6-14(18)16(7-12)13(15(19)20)10-21-9-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H,19,20)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid?
(2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 168661836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).