(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid

C12H19N3O2 — CID 175507470

IUPAC(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)c1cnc([C@@H]2CCCN2C(=O)O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9-7-13-10(14-9)8-5-4-6-15(8)11(16)17/h7-8H,4-6H2,1-3H3,(H,13,14)(H,16,17)/t8-/m0/s1
InChIKeyZVHYAZVTVDHCKF-QMMMGPOBSA-N
MW237.30 g/mol
LogP2.52
Rot. Bonds1

About (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid

(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 175507470) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID175507470
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)c1cnc([C@@H]2CCCN2C(=O)O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9-7-13-10(14-9)8-5-4-6-15(8)11(16)17/h7-8H,4-6H2,1-3H3,(H,13,14)(H,16,17)/t8-/m0/s1
InChIKeyZVHYAZVTVDHCKF-QMMMGPOBSA-N
XLogP2.52
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 59540175
2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 129096546
(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
tert-butyl 2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 58501743
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
(2S)-2-[5-(4-cyanophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90259688
(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 66848089
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110104394
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
(2S)-2-[5-[4-[4-[2-[(2S)-1-carboxypyrrolidin-2-yl]-1H-imidazol-5-yl]-2-(2-methyl-4-phenylbutan-2-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90122309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid (CID 175507470) is (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid is CC(C)(C)c1cnc([C@@H]2CCCN2C(=O)O)[nH]1.
What is the InChIKey of (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZVHYAZVTVDHCKF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)9-7-13-10(14-9)8-5-4-6-15(8)11(16)17/h7-8H,4-6H2,1-3H3,(H,13,14)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175507470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).