3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide

C18H25N3O3 — CID 124622078

IUPAC3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide
SMILESCc1cc(C)c(N2CC[C@@H](NC(=O)N3CC(CO)C3)C2=O)c(C)c1
InChIInChI=1S/C18H25N3O3/c1-11-6-12(2)16(13(3)7-11)21-5-4-15(17(21)23)19-18(24)20-8-14(9-20)10-22/h6-7,14-15,22H,4-5,8-10H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyWYMITVVNBGLFQB-OAHLLOKOSA-N
MW331.42 g/mol
LogP1.35
Rot. Bonds3

About 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide

3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide (PubChem CID 124622078) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide
PubChem CID124622078
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide
SMILESCc1cc(C)c(N2CC[C@@H](NC(=O)N3CC(CO)C3)C2=O)c(C)c1
InChIInChI=1S/C18H25N3O3/c1-11-6-12(2)16(13(3)7-11)21-5-4-15(17(21)23)19-18(24)20-8-14(9-20)10-22/h6-7,14-15,22H,4-5,8-10H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyWYMITVVNBGLFQB-OAHLLOKOSA-N
XLogP1.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide with MolForge

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Related Compounds

5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122123586
2-methyl-3-oxo-3-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 122066328
2-(cyanomethylsulfanyl)-N-[(3S)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]acetamide
CID 124621868
(3S)-3-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 124863883
(3S)-3-(thiadiazol-4-ylmethylamino)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 99824948
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014861
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
methyl 1-[[1-(4-bromo-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]carbamoyl]-3-[(3-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 166353231
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
3-(hydroxymethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidine-1-carboxamide
CID 111443717

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide (CID 124622078) is 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide is Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CC(CO)C3)C2=O)c(C)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The InChIKey is WYMITVVNBGLFQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-6-12(2)16(13(3)7-11)21-5-4-15(17(21)23)19-18(24)20-8-14(9-20)10-22/h6-7,14-15,22H,4-5,8-10H2,1-3H3,(H,19,24)/t15-/m1/s1.
What are the key properties of 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide?
3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 124622078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).