2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid

C17H22N2O7 — CID 119346110

IUPAC2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESCOc1cc(N2CC(C(=O)N(C)CC(=O)O)CC2=O)cc(OC)c1OC
InChIInChI=1S/C17H22N2O7/c1-18(9-15(21)22)17(23)10-5-14(20)19(8-10)11-6-12(24-2)16(26-4)13(7-11)25-3/h6-7,10H,5,8-9H2,1-4H3,(H,21,22)
InChIKeyHFDBWIPRDKWIQF-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.61
Rot. Bonds7

About 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid

2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 119346110) has the molecular formula C17H22N2O7 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID119346110
Molecular FormulaC17H22N2O7
Molecular Weight366.37 g/mol
Exact Mass366.14
IUPAC Name2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESCOc1cc(N2CC(C(=O)N(C)CC(=O)O)CC2=O)cc(OC)c1OC
InChIInChI=1S/C17H22N2O7/c1-18(9-15(21)22)17(23)10-5-14(20)19(8-10)11-6-12(24-2)16(26-4)13(7-11)25-3/h6-7,10H,5,8-9H2,1-4H3,(H,21,22)
InChIKeyHFDBWIPRDKWIQF-UHFFFAOYSA-N
XLogP0.61
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119362275
N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 56510635
N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43056773
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55585273
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42953424
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 38002802
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid (CID 119346110) is 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid is COc1cc(N2CC(C(=O)N(C)CC(=O)O)CC2=O)cc(OC)c1OC.
What is the InChIKey of 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is HFDBWIPRDKWIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7/c1-18(9-15(21)22)17(23)10-5-14(20)19(8-10)11-6-12(24-2)16(26-4)13(7-11)25-3/h6-7,10H,5,8-9H2,1-4H3,(H,21,22).
What are the key properties of 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid?
2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 366.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119346110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).