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

C18H20N4O5 — CID 125132512

IUPAC2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccn(CC(=O)O)n2)CC1=O
InChIInChI=1S/C18H20N4O5/c1-11-3-4-14(27-2)13(7-11)22-9-12(8-16(22)23)18(26)19-15-5-6-21(20-15)10-17(24)25/h3-7,12H,8-10H2,1-2H3,(H,24,25)(H,19,20,26)/t12-/m1/s1
InChIKeySLKQRBLCZFGDQJ-GFCCVEGCSA-N
MW372.38 g/mol
LogP1.28
Rot. Bonds6

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

2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 125132512) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID125132512
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccn(CC(=O)O)n2)CC1=O
InChIInChI=1S/C18H20N4O5/c1-11-3-4-14(27-2)13(7-11)22-9-12(8-16(22)23)18(26)19-15-5-6-21(20-15)10-17(24)25/h3-7,12H,8-10H2,1-2H3,(H,24,25)(H,19,20,26)/t12-/m1/s1
InChIKeySLKQRBLCZFGDQJ-GFCCVEGCSA-N
XLogP1.28
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231220
(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41025414
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17019101
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
(3R)-N-[(3R)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97339337
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
(3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 38139612

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 125132512) is 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid is COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccn(CC(=O)O)n2)CC1=O.
What is the InChIKey of 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is SLKQRBLCZFGDQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-11-3-4-14(27-2)13(7-11)22-9-12(8-16(22)23)18(26)19-15-5-6-21(20-15)10-17(24)25/h3-7,12H,8-10H2,1-2H3,(H,24,25)(H,19,20,26)/t12-/m1/s1.
What are the key properties of 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 125132512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).