(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one

C9H15N3O2S — CID 119486878

IUPAC(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESNCC1CCN(C(=O)[C@@H]2CSC(=O)N2)C1
InChIInChI=1S/C9H15N3O2S/c10-3-6-1-2-12(4-6)8(13)7-5-15-9(14)11-7/h6-7H,1-5,10H2,(H,11,14)/t6?,7-/m0/s1
InChIKeyGUYLDAYWBGVMLZ-MLWJPKLSSA-N
MW229.30 g/mol
LogP-0.38
Rot. Bonds2

About (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one

(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 119486878) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
PubChem CID119486878
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESNCC1CCN(C(=O)[C@@H]2CSC(=O)N2)C1
InChIInChI=1S/C9H15N3O2S/c10-3-6-1-2-12(4-6)8(13)7-5-15-9(14)11-7/h6-7H,1-5,10H2,(H,11,14)/t6?,7-/m0/s1
InChIKeyGUYLDAYWBGVMLZ-MLWJPKLSSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
CID 119483069
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119520526
(4R)-4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120745296
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 63123107
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119485245
[3-(aminomethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595887
(8aS)-7-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-2-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7682594

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one (CID 119486878) is (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one is NCC1CCN(C(=O)[C@@H]2CSC(=O)N2)C1.
What is the InChIKey of (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is GUYLDAYWBGVMLZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-3-6-1-2-12(4-6)8(13)7-5-15-9(14)11-7/h6-7H,1-5,10H2,(H,11,14)/t6?,7-/m0/s1.
What are the key properties of (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 229.30 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 119486878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).