(2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid

C8H15NO4 — CID 118161366

IUPAC(2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)O[C@@H]1CN[C@](O)(C(=O)O)C1
InChIInChI=1S/C8H15NO4/c1-5(2)13-6-3-8(12,7(10)11)9-4-6/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)/t6-,8+/m0/s1
InChIKeyXKLNOSWAIFVXDL-POYBYMJQSA-N
MW189.21 g/mol
LogP-0.45
Rot. Bonds3

About (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid

(2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid (PubChem CID 118161366) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid
PubChem CID118161366
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)O[C@@H]1CN[C@](O)(C(=O)O)C1
InChIInChI=1S/C8H15NO4/c1-5(2)13-6-3-8(12,7(10)11)9-4-6/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)/t6-,8+/m0/s1
InChIKeyXKLNOSWAIFVXDL-POYBYMJQSA-N
XLogP-0.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid
CID 118161367
(2R,4S)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 125424432
(2S,4S)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 125424433
2-phenyl-4-propan-2-yloxyoxolane-2-carboxylic acid
CID 18467923
3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid
CID 97184538
(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yloxypyrrolidine-2-carboxylic acid
CID 125425253
(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 138645603
1-(2-azabicyclo[2.1.1]hexan-1-yl)ethanone
CID 59074893
1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 20515751
ethyl 2-azabicyclo[2.1.1]hexane-1-carboxylate;hydrochloride
CID 122164494
2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)propan-1-one
CID 77445876
1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725415

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid (CID 118161366) is (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid is CC(C)O[C@@H]1CN[C@](O)(C(=O)O)C1.
What is the InChIKey of (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid?
The InChIKey is XKLNOSWAIFVXDL-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)13-6-3-8(12,7(10)11)9-4-6/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)/t6-,8+/m0/s1.
What are the key properties of (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid?
(2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-hydroxy-4-propan-2-yloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118161366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).