1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid

C11H15N3O3S — CID 66381589

IUPAC1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)c1csc(CN)n1
InChIInChI=1S/C11H15N3O3S/c1-11(10(16)17)3-2-4-14(11)9(15)7-6-18-8(5-12)13-7/h6H,2-5,12H2,1H3,(H,16,17)
InChIKeyPBEQMEIFONVLBI-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid

1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 66381589) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID66381589
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)c1csc(CN)n1
InChIInChI=1S/C11H15N3O3S/c1-11(10(16)17)3-2-4-14(11)9(15)7-6-18-8(5-12)13-7/h6H,2-5,12H2,1H3,(H,16,17)
InChIKeyPBEQMEIFONVLBI-UHFFFAOYSA-N
XLogP0.68
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66379843
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
CID 119899850
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 66389170
1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114035196
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 66378865
1-(5-iodothiophene-3-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 79685652
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid (CID 66381589) is 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)c1csc(CN)n1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is PBEQMEIFONVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-11(10(16)17)3-2-4-14(11)9(15)7-6-18-8(5-12)13-7/h6H,2-5,12H2,1H3,(H,16,17).
What are the key properties of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66381589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).