methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate

C14H16N2O5 — CID 168695756

IUPACmethyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(O)cc1)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C14H16N2O5/c1-21-14(20)12(8-2-4-10(17)5-3-8)16-7-9(13(15)19)6-11(16)18/h2-5,9,12,17H,6-7H2,1H3,(H2,15,19)/t9?,12-/m1/s1
InChIKeyYRFZHZUMIPJUDU-FFFFSGIJSA-N
MW292.29 g/mol
LogP-0.06
Rot. Bonds4

About methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate

methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate (PubChem CID 168695756) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate
PubChem CID168695756
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Namemethyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(O)cc1)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C14H16N2O5/c1-21-14(20)12(8-2-4-10(17)5-3-8)16-7-9(13(15)19)6-11(16)18/h2-5,9,12,17H,6-7H2,1H3,(H2,15,19)/t9?,12-/m1/s1
InChIKeyYRFZHZUMIPJUDU-FFFFSGIJSA-N
XLogP-0.06
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
1-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690228
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690179
(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 168695754
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168695762
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168695785
2-(4-hydroxyphenyl)-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)acetic acid
CID 168707779
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593
1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 168695684
2-(3-bromophenyl)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168695805

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate (CID 168695756) is methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate is COC(=O)[C@@H](c1ccc(O)cc1)N1CC(C(N)=O)CC1=O.
What is the InChIKey of methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate?
The InChIKey is YRFZHZUMIPJUDU-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-14(20)12(8-2-4-10(17)5-3-8)16-7-9(13(15)19)6-11(16)18/h2-5,9,12,17H,6-7H2,1H3,(H2,15,19)/t9?,12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate?
methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate has a molecular weight of 292.29 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 168695756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).