thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate

C10H13NO2S — CID 78923175

IUPACthiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
SMILESO=C(OCc1cccs1)[C@H]1CCCN1
InChIInChI=1S/C10H13NO2S/c12-10(9-4-1-5-11-9)13-7-8-3-2-6-14-8/h2-3,6,9,11H,1,4-5,7H2/t9-/m1/s1
InChIKeyHZAKDCJTVVUURD-SECBINFHSA-N
MW211.29 g/mol
LogP1.54
Rot. Bonds3

About thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate

thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate (PubChem CID 78923175) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
PubChem CID78923175
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namethiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
SMILESO=C(OCc1cccs1)[C@H]1CCCN1
InChIInChI=1S/C10H13NO2S/c12-10(9-4-1-5-11-9)13-7-8-3-2-6-14-8/h2-3,6,9,11H,1,4-5,7H2/t9-/m1/s1
InChIKeyHZAKDCJTVVUURD-SECBINFHSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
CID 64816874
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate
CID 94259086
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate
CID 66031603
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate (CID 78923175) is thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate is O=C(OCc1cccs1)[C@H]1CCCN1.
What is the InChIKey of thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate?
The InChIKey is HZAKDCJTVVUURD-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(9-4-1-5-11-9)13-7-8-3-2-6-14-8/h2-3,6,9,11H,1,4-5,7H2/t9-/m1/s1.
What are the key properties of thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate?
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 78923175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).