2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide

C11H22N2O3 — CID 77261022

IUPAC2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)OC1CC(CO)N(CC(N)=O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-9-4-8(7-14)13(5-9)6-10(12)15/h8-9,14H,4-7H2,1-3H3,(H2,12,15)
InChIKeyPLJPXFQLINLOSB-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.28
Rot. Bonds4

About 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide

2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide (PubChem CID 77261022) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide
PubChem CID77261022
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)OC1CC(CO)N(CC(N)=O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-9-4-8(7-14)13(5-9)6-10(12)15/h8-9,14H,4-7H2,1-3H3,(H2,12,15)
InChIKeyPLJPXFQLINLOSB-UHFFFAOYSA-N
XLogP-0.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-methylpropan-2-yl)oxy]-1-propylpyrrolidin-2-yl]methanediol
CID 143677760
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxamide
CID 127011619
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128983572
N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128982897
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid
CID 90779724
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trideuteriomethoxy)pyrrolidine-1-carboxylate
CID 171934867
benzyl (2S,4R)-2-(aminomethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylate
CID 68862962
2-(4-amino-2-methylpyrrolidin-1-yl)acetamide
CID 130993852
2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
CID 134574205
tert-butyl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
CID 139708119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide (CID 77261022) is 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide is CC(C)(C)OC1CC(CO)N(CC(N)=O)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide?
The InChIKey is PLJPXFQLINLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-9-4-8(7-14)13(5-9)6-10(12)15/h8-9,14H,4-7H2,1-3H3,(H2,12,15).
What are the key properties of 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide?
2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 77261022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).