(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid

C8H12N4O3S — CID 121256393

IUPAC(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid
SMILESNc1nnc(OC[C@H]2CCN(C(=O)O)C2)s1
InChIInChI=1S/C8H12N4O3S/c9-6-10-11-7(16-6)15-4-5-1-2-12(3-5)8(13)14/h5H,1-4H2,(H2,9,10)(H,13,14)/t5-/m0/s1
InChIKeyXQDRMTLAQZDUPR-YFKPBYRVSA-N
MW244.28 g/mol
LogP0.50
Rot. Bonds3

About (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid

(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 121256393) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID121256393
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid
SMILESNc1nnc(OC[C@H]2CCN(C(=O)O)C2)s1
InChIInChI=1S/C8H12N4O3S/c9-6-10-11-7(16-6)15-4-5-1-2-12(3-5)8(13)14/h5H,1-4H2,(H2,9,10)(H,13,14)/t5-/m0/s1
InChIKeyXQDRMTLAQZDUPR-YFKPBYRVSA-N
XLogP0.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine
CID 170550738
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90457958
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol
CID 167102833
4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid
CID 67607273
(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90895817
(3S)-3-(methylsulfanylcarbothioyloxymethyl)pyrrolidine-1-carboxylic acid
CID 121256324
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 116667002
4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid
CID 66677317
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid (CID 121256393) is (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid is Nc1nnc(OC[C@H]2CCN(C(=O)O)C2)s1.
What is the InChIKey of (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XQDRMTLAQZDUPR-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-6-10-11-7(16-6)15-4-5-1-2-12(3-5)8(13)14/h5H,1-4H2,(H2,9,10)(H,13,14)/t5-/m0/s1.
What are the key properties of (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid?
(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 244.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 121256393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).