2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C12H22N2O3 — CID 62016098

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCC1CO)NCC1CCCO1
InChIInChI=1S/C12H22N2O3/c15-9-10-3-1-5-14(10)8-12(16)13-7-11-4-2-6-17-11/h10-11,15H,1-9H2,(H,13,16)
InChIKeyUCFIXRALAAJNQQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.26
Rot. Bonds5

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 62016098) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID62016098
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCC1CO)NCC1CCCO1
InChIInChI=1S/C12H22N2O3/c15-9-10-3-1-5-14(10)8-12(16)13-7-11-4-2-6-17-11/h10-11,15H,1-9H2,(H,13,16)
InChIKeyUCFIXRALAAJNQQ-UHFFFAOYSA-N
XLogP-0.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 62026394
2-[(2S)-2-methylpiperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51980847
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 103352927
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 62016098) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1CCCC1CO)NCC1CCCO1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UCFIXRALAAJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-9-10-3-1-5-14(10)8-12(16)13-7-11-4-2-6-17-11/h10-11,15H,1-9H2,(H,13,16).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 62016098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).