(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid

C14H15NO5 — CID 168692814

IUPAC(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
SMILESCOC(=O)C1CC(=O)N([C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H15NO5/c1-20-14(19)10-7-11(16)15(8-10)12(13(17)18)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyIRXZJRWXOKXDEH-TVKKRMFBSA-N
MW277.28 g/mol
LogP0.83
Rot. Bonds4

About (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid

(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid (PubChem CID 168692814) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
PubChem CID168692814
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
SMILESCOC(=O)C1CC(=O)N([C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H15NO5/c1-20-14(19)10-7-11(16)15(8-10)12(13(17)18)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyIRXZJRWXOKXDEH-TVKKRMFBSA-N
XLogP0.83
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168692725
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
CID 168692745
methyl 1-[1-(3-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692611
methyl 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692613
1-[(4-bromophenyl)-carboxymethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690265
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
CID 168692750
(2S)-3-(4-hydroxyphenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692841
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692820
(4-methoxycarbonylphenyl) (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 8572101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid (CID 168692814) is (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid is COC(=O)C1CC(=O)N([C@@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
The InChIKey is IRXZJRWXOKXDEH-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H15NO5/c1-20-14(19)10-7-11(16)15(8-10)12(13(17)18)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,17,18)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid?
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid has a molecular weight of 277.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 168692814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).