methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate

C18H24N2O4 — CID 37028365

IUPACmethyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(2)10-20-11-14(9-16(20)21)18(23)19-15-6-4-13(5-7-15)8-17(22)24-3/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyFTIFHWICVPGVSS-CQSZACIVSA-N
MW332.40 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate

methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate (PubChem CID 37028365) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
PubChem CID37028365
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(2)10-20-11-14(9-16(20)21)18(23)19-15-6-4-13(5-7-15)8-17(22)24-3/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyFTIFHWICVPGVSS-CQSZACIVSA-N
XLogP1.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate with MolForge

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
N-[4-(tert-butylcarbamoyl)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46598239
(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51591237
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93017883
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
CID 136849640
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46445950

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate (CID 37028365) is methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1.
What is the InChIKey of methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate?
The InChIKey is FTIFHWICVPGVSS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)10-20-11-14(9-16(20)21)18(23)19-15-6-4-13(5-7-15)8-17(22)24-3/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)/t14-/m1/s1.
What are the key properties of methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate?
methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate has a molecular weight of 332.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 37028365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).