methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate

C18H24N2O4 — CID 95127376

IUPACmethyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1
InChIInChI=1S/C18H24N2O4/c1-11-7-6-8-14(12(11)2)20-10-13(9-15(20)21)16(22)19-18(3,4)17(23)24-5/h6-8,13H,9-10H2,1-5H3,(H,19,22)/t13-/m1/s1
InChIKeyCSYXEOZTMLQBTP-CYBMUJFWSA-N
MW332.40 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate

methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate (PubChem CID 95127376) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
PubChem CID95127376
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1
InChIInChI=1S/C18H24N2O4/c1-11-7-6-8-14(12(11)2)20-10-13(9-15(20)21)16(22)19-18(3,4)17(23)24-5/h6-8,13H,9-10H2,1-5H3,(H,19,22)/t13-/m1/s1
InChIKeyCSYXEOZTMLQBTP-CYBMUJFWSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119571084
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42997194
(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 26882760
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7425535
methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
CID 8919927
1-(2,3-dimethylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 46651550
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate (CID 95127376) is methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1.
What is the InChIKey of methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
The InChIKey is CSYXEOZTMLQBTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-7-6-8-14(12(11)2)20-10-13(9-15(20)21)16(22)19-18(3,4)17(23)24-5/h6-8,13H,9-10H2,1-5H3,(H,19,22)/t13-/m1/s1.
What are the key properties of methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate has a molecular weight of 332.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 95127376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).