3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C12H18N4O3S — CID 107322969

IUPAC3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H18N4O3S/c1-11(2,3)8-7(20-15-14-8)9(17)16-5-4-12(13,6-16)10(18)19/h4-6,13H2,1-3H3,(H,18,19)
InChIKeyWAMWNYPNCYRINP-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.46
Rot. Bonds2

About 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107322969) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107322969
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H18N4O3S/c1-11(2,3)8-7(20-15-14-8)9(17)16-5-4-12(13,6-16)10(18)19/h4-6,13H2,1-3H3,(H,18,19)
InChIKeyWAMWNYPNCYRINP-UHFFFAOYSA-N
XLogP0.46
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromopiperidin-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 80662682
(3R)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512513
(3S)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512514
1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 86807038
[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
CID 66202912
(4-tert-butylthiadiazol-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 65209884
1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 65206215
3-amino-1-(3,5-dimethylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107323029
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 65205242
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-tert-butyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120807874
1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 65206264
1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311960

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 107322969) is 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid is CC(C)(C)c1nnsc1C(=O)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WAMWNYPNCYRINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-11(2,3)8-7(20-15-14-8)9(17)16-5-4-12(13,6-16)10(18)19/h4-6,13H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 298.37 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107322969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).