tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate

C15H22N2O3S — CID 71634241

IUPACtert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCc1ccsc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H22N2O3S/c1-10-6-8-21-12(10)13(18)17-7-5-11(9-17)16-14(19)20-15(2,3)4/h6,8,11H,5,7,9H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyMPBYYMYXWWFNGY-LLVKDONJSA-N
MW310.42 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 71634241) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID71634241
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCc1ccsc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H22N2O3S/c1-10-6-8-21-12(10)13(18)17-7-5-11(9-17)16-14(19)20-15(2,3)4/h6,8,11H,5,7,9H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyMPBYYMYXWWFNGY-LLVKDONJSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate
CID 97166798
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55736034
tert-butyl N-[(3R)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 97007665
tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)pyrrolidin-3-yl]carbamate
CID 171905736
tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 97007666
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
tert-butyl N-[(3S)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 166934663
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 71634868

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate (CID 71634241) is tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate is Cc1ccsc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is MPBYYMYXWWFNGY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-6-8-21-12(10)13(18)17-7-5-11(9-17)16-14(19)20-15(2,3)4/h6,8,11H,5,7,9H2,1-4H3,(H,16,19)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 310.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 71634241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).