N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C11H18N2O3 — CID 66004114

IUPACN-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC2CC(O)C2)CC1=O
InChIInChI=1S/C11H18N2O3/c1-13-6-8(4-10(13)15)11(16)12-5-7-2-9(14)3-7/h7-9,14H,2-6H2,1H3,(H,12,16)
InChIKeyASTVBTJQWZNAEE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.65
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 66004114) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID66004114
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC2CC(O)C2)CC1=O
InChIInChI=1S/C11H18N2O3/c1-13-6-8(4-10(13)15)11(16)12-5-7-2-9(14)3-7/h7-9,14H,2-6H2,1H3,(H,12,16)
InChIKeyASTVBTJQWZNAEE-UHFFFAOYSA-N
XLogP-0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 103280729
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83193505
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95135842
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75414529
1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435852
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 66004114) is N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCC2CC(O)C2)CC1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ASTVBTJQWZNAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13-6-8(4-10(13)15)11(16)12-5-7-2-9(14)3-7/h7-9,14H,2-6H2,1H3,(H,12,16).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66004114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).