N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C11H22N2O2 — CID 62733673

IUPACN-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C11H22N2O2/c1-3-9(2)12-11(15)7-13-6-4-5-10(13)8-14/h9-10,14H,3-8H2,1-2H3,(H,12,15)/t9?,10-/m1/s1
InChIKeyUWWBEHFUCAOSLK-QVDQXJPCSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds5

About N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62733673) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62733673
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C11H22N2O2/c1-3-9(2)12-11(15)7-13-6-4-5-10(13)8-14/h9-10,14H,3-8H2,1-2H3,(H,12,15)/t9?,10-/m1/s1
InChIKeyUWWBEHFUCAOSLK-QVDQXJPCSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62738251
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637510
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 62015902
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743
N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62733673) is N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is CCC(C)NC(=O)CN1CCC[C@@H]1CO.
What is the InChIKey of N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is UWWBEHFUCAOSLK-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-9(2)12-11(15)7-13-6-4-5-10(13)8-14/h9-10,14H,3-8H2,1-2H3,(H,12,15)/t9?,10-/m1/s1.
What are the key properties of N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62733673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).