[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate

C16H23NO3S — CID 1470132

IUPAC[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
SMILESCC(C)C[C@@H](OC(=O)c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-11(2)10-13(15(18)17-12-6-3-4-7-12)20-16(19)14-8-5-9-21-14/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyLMQNCOAKJVJNMF-CYBMUJFWSA-N
MW309.43 g/mol
LogP3.38
Rot. Bonds6

About [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate

[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate (PubChem CID 1470132) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
PubChem CID1470132
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
SMILESCC(C)C[C@@H](OC(=O)c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-11(2)10-13(15(18)17-12-6-3-4-7-12)20-16(19)14-8-5-9-21-14/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyLMQNCOAKJVJNMF-CYBMUJFWSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3863781
[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470115
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3220263
[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 3220275
[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
CID 1470140
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470315
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 55380108
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43015410
[(2S)-1-[[(4S)-azepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl] N-methyl-N-phenylcarbamate
CID 140520765

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate (CID 1470132) is [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate is CC(C)C[C@@H](OC(=O)c1cccs1)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate?
The InChIKey is LMQNCOAKJVJNMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11(2)10-13(15(18)17-12-6-3-4-7-12)20-16(19)14-8-5-9-21-14/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate?
[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 1470132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).