2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid

C9H17NO3 — CID 66605152

IUPAC2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(O)CN1C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,3)7-4-6(11)5-10(7)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyZQVHDBITZHWTCL-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.15
Rot. Bonds

About 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid

2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 66605152) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID66605152
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(O)CN1C(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,3)7-4-6(11)5-10(7)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyZQVHDBITZHWTCL-UHFFFAOYSA-N
XLogP1.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-hydroxyazepane-1-carboxylic acid
CID 69028711
(3aS,6aR)-3-tert-butyl-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 66669394
(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87590455
(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843531
(2S,4R)-1-[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 175987353
tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 154523095
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4R)-2-ethynyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87961970
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid (CID 66605152) is 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid is CC(C)(C)C1CC(O)CN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is ZQVHDBITZHWTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)7-4-6(11)5-10(7)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66605152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).