methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate

C10H16N2O3S — CID 60939361

IUPACmethyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CSCN1
InChIInChI=1S/C10H16N2O3S/c1-15-10(14)8-3-2-4-12(8)9(13)7-5-16-6-11-7/h7-8,11H,2-6H2,1H3
InChIKeyBHQBECPHFHGKCN-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.19
Rot. Bonds2

About methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 60939361) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID60939361
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Namemethyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CSCN1
InChIInChI=1S/C10H16N2O3S/c1-15-10(14)8-3-2-4-12(8)9(13)7-5-16-6-11-7/h7-8,11H,2-6H2,1H3
InChIKeyBHQBECPHFHGKCN-UHFFFAOYSA-N
XLogP-0.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
methyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423341
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
CID 82908203
methyl 1-(4-ethylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114428408
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
methyl (2R)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylate;hydrochloride
CID 67873772
methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate (CID 60939361) is methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1CSCN1.
What is the InChIKey of methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is BHQBECPHFHGKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-15-10(14)8-3-2-4-12(8)9(13)7-5-16-6-11-7/h7-8,11H,2-6H2,1H3.
What are the key properties of methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 244.32 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 60939361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).