(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid

C10H19NO3 — CID 90779724

IUPAC(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid
SMILESCC1C[C@@H](OC(C)(C)C)CN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-7-5-8(14-10(2,3)4)6-11(7)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyZPXPAENSZYNVJT-BRFYHDHCSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds1

About (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid

(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid (PubChem CID 90779724) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid
PubChem CID90779724
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid
SMILESCC1C[C@@H](OC(C)(C)C)CN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-7-5-8(14-10(2,3)4)6-11(7)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyZPXPAENSZYNVJT-BRFYHDHCSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-methylsulfonyloxypyrrolidine-1-carboxylic acid
CID 22393521
(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid
CID 57085839
tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate
CID 135017071
tert-butyl N-[(2R)-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127817
(2S,4S)-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 50999186
4-ethynyl-2-methylpyrrolidine-1-carboxylic acid
CID 90317127
(2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylic acid
CID 155046869
1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 154168797
2-methyl-5-methylsulfonyloxypiperidine-1-carboxylic acid
CID 90190479
(2S,4R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 58663929
(2S,4R)-4-[(7-chloro-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylic acid
CID 155046882
(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid
CID 57115801

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid (CID 90779724) is (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid is CC1C[C@@H](OC(C)(C)C)CN1C(=O)O.
What is the InChIKey of (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid?
The InChIKey is ZPXPAENSZYNVJT-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-8(14-10(2,3)4)6-11(7)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)/t7?,8-/m1/s1.
What are the key properties of (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid?
(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90779724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).