N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

C13H25N3O3 — CID 102787643

IUPACN-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCC1CCN(CC(=O)NC(=O)NC(C)(C)C)C1CO
InChIInChI=1S/C13H25N3O3/c1-9-5-6-16(10(9)8-17)7-11(18)14-12(19)15-13(2,3)4/h9-10,17H,5-8H2,1-4H3,(H2,14,15,18,19)
InChIKeyZPJIBTRCVFKVIT-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.31
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (PubChem CID 102787643) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
PubChem CID102787643
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCC1CCN(CC(=O)NC(=O)NC(C)(C)C)C1CO
InChIInChI=1S/C13H25N3O3/c1-9-5-6-16(10(9)8-17)7-11(18)14-12(19)15-13(2,3)4/h9-10,17H,5-8H2,1-4H3,(H2,14,15,18,19)
InChIKeyZPJIBTRCVFKVIT-UHFFFAOYSA-N
XLogP0.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426567
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788921
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 102788580
4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide
CID 102788938
N-(tert-butylcarbamoyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999296
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788937
N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787690
N-[1-(4-bromophenyl)ethyl]-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788189
N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684
N-(1-cyanocycloheptyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102789059

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (CID 102787643) is N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is CC1CCN(CC(=O)NC(=O)NC(C)(C)C)C1CO.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The InChIKey is ZPJIBTRCVFKVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9-5-6-16(10(9)8-17)7-11(18)14-12(19)15-13(2,3)4/h9-10,17H,5-8H2,1-4H3,(H2,14,15,18,19).
What are the key properties of N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 102787643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).