2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid

C17H18N4O5 — CID 119231220

IUPAC2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCOc1ccccc1N1CC(C(=O)Nc2ccn(CC(=O)O)n2)CC1=O
InChIInChI=1S/C17H18N4O5/c1-26-13-5-3-2-4-12(13)21-9-11(8-15(21)22)17(25)18-14-6-7-20(19-14)10-16(23)24/h2-7,11H,8-10H2,1H3,(H,23,24)(H,18,19,25)
InChIKeyZKUFZOJYIYXXHL-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.97
Rot. Bonds6

About 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231220) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231220
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCOc1ccccc1N1CC(C(=O)Nc2ccn(CC(=O)O)n2)CC1=O
InChIInChI=1S/C17H18N4O5/c1-26-13-5-3-2-4-12(13)21-9-11(8-15(21)22)17(25)18-14-6-7-20(19-14)10-16(23)24/h2-7,11H,8-10H2,1H3,(H,23,24)(H,18,19,25)
InChIKeyZKUFZOJYIYXXHL-UHFFFAOYSA-N
XLogP0.97
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125132512
(3S)-1-(2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 35036236
2-[3-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125152670
1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18885995
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 39043011
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51720446
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 119231220) is 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid is COc1ccccc1N1CC(C(=O)Nc2ccn(CC(=O)O)n2)CC1=O.
What is the InChIKey of 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is ZKUFZOJYIYXXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-26-13-5-3-2-4-12(13)21-9-11(8-15(21)22)17(25)18-14-6-7-20(19-14)10-16(23)24/h2-7,11H,8-10H2,1H3,(H,23,24)(H,18,19,25).
What are the key properties of 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 358.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).