N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C13H24N2O2 — CID 106981299

IUPACN-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2(CO)CCC2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(6-7-14-8-13)11(17)15-12(9-16)4-3-5-12/h10,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyAIJQGSZIADLDPI-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.65
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981299) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981299
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2(CO)CCC2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(6-7-14-8-13)11(17)15-12(9-16)4-3-5-12/h10,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyAIJQGSZIADLDPI-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 106981085
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981299) is N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NC2(CO)CCC2)CCNC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AIJQGSZIADLDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)13(6-7-14-8-13)11(17)15-12(9-16)4-3-5-12/h10,14,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).