2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide

C11H22N2O2 — CID 62370861

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)12-11(15)9(3)13-5-4-10(6-13)7-14/h8-10,14H,4-7H2,1-3H3,(H,12,15)
InChIKeyCXJGGPCJIDDWFD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.21
Rot. Bonds4

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 62370861) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID62370861
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)12-11(15)9(3)13-5-4-10(6-13)7-14/h8-10,14H,4-7H2,1-3H3,(H,12,15)
InChIKeyCXJGGPCJIDDWFD-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 81492569
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111543736
N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60638694
2-(4-acetylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 55258721
N-[(4-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543820
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide (CID 62370861) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is CXJGGPCJIDDWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)12-11(15)9(3)13-5-4-10(6-13)7-14/h8-10,14H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62370861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).