(2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid

C10H19NO2 — CID 67058366

IUPAC(2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7-5-6-8(9(12)13)11(7)10(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyLLKYFCWRUYKEEX-SFYZADRCSA-N
MW185.27 g/mol
LogP1.72
Rot. Bonds1

About (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid

(2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid (PubChem CID 67058366) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid
PubChem CID67058366
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC[C@@H](C(=O)O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7-5-6-8(9(12)13)11(7)10(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyLLKYFCWRUYKEEX-SFYZADRCSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 59450731
(2S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5R)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 161467903
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 130942964
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 155904136
(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 131554192
1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 130901537
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid (CID 67058366) is (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid is C[C@@H]1CC[C@@H](C(=O)O)N1C(C)(C)C.
What is the InChIKey of (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid?
The InChIKey is LLKYFCWRUYKEEX-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-5-6-8(9(12)13)11(7)10(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid?
(2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67058366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).