2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide

C9H18N2O3 — CID 170605496

IUPAC2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide
SMILESCC1(COCC(N)=O)CCNC1CO
InChIInChI=1S/C9H18N2O3/c1-9(6-14-5-8(10)13)2-3-11-7(9)4-12/h7,11-12H,2-6H2,1H3,(H2,10,13)
InChIKeyYXCNDGHDLJDPKD-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.15
Rot. Bonds5

About 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide

2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide (PubChem CID 170605496) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide
PubChem CID170605496
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide
SMILESCC1(COCC(N)=O)CCNC1CO
InChIInChI=1S/C9H18N2O3/c1-9(6-14-5-8(10)13)2-3-11-7(9)4-12/h7,11-12H,2-6H2,1H3,(H2,10,13)
InChIKeyYXCNDGHDLJDPKD-UHFFFAOYSA-N
XLogP-1.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-Ethyl-2-(hydroxymethyl)butyl]amino]ethoxy]acetamide
CID 106236377
2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide
CID 142151886

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide?
The IUPAC name of 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide (CID 170605496) is 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide is CC1(COCC(N)=O)CCNC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide?
The InChIKey is YXCNDGHDLJDPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(6-14-5-8(10)13)2-3-11-7(9)4-12/h7,11-12H,2-6H2,1H3,(H2,10,13).
What are the key properties of 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide?
2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide has a molecular weight of 202.25 g/mol, XLogP of -1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide is sourced from PubChem (CID 170605496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).