1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C14H23N3O4 — CID 167982047

IUPAC1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CN(C(=O)C(C)(C)CO)C2)C1
InChIInChI=1S/C14H23N3O4/c1-14(2,8-18)13(21)16-6-10(7-16)17-5-9(4-11(17)19)12(20)15-3/h9-10,18H,4-8H2,1-3H3,(H,15,20)
InChIKeyPHKPUWNWOBPKCQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP-1.19
Rot. Bonds4

About 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 167982047) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID167982047
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CN(C(=O)C(C)(C)CO)C2)C1
InChIInChI=1S/C14H23N3O4/c1-14(2,8-18)13(21)16-6-10(7-16)17-5-9(4-11(17)19)12(20)15-3/h9-10,18H,4-8H2,1-3H3,(H,15,20)
InChIKeyPHKPUWNWOBPKCQ-UHFFFAOYSA-N
XLogP-1.19
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 154768195
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95129510
1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 167858307
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
1-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 104857444
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670927
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360
3-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261581
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 167982047) is 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(C2CN(C(=O)C(C)(C)CO)C2)C1.
What is the InChIKey of 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PHKPUWNWOBPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2,8-18)13(21)16-6-10(7-16)17-5-9(4-11(17)19)12(20)15-3/h9-10,18H,4-8H2,1-3H3,(H,15,20).
What are the key properties of 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167982047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).