methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate

C13H18N2O3S — CID 115286566

IUPACmethyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(N)c1cccs1
InChIInChI=1S/C13H18N2O3S/c1-18-13(17)9-5-2-3-7-15(9)12(16)11(14)10-6-4-8-19-10/h4,6,8-9,11H,2-3,5,7,14H2,1H3
InChIKeyTWYCWZIPFRINKT-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.30
Rot. Bonds3

About methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate

methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate (PubChem CID 115286566) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
PubChem CID115286566
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namemethyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(N)c1cccs1
InChIInChI=1S/C13H18N2O3S/c1-18-13(17)9-5-2-3-7-15(9)12(16)11(14)10-6-4-8-19-10/h4,6,8-9,11H,2-3,5,7,14H2,1H3
InChIKeyTWYCWZIPFRINKT-UHFFFAOYSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
CID 115286826
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285222
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 93039678
methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate
CID 78986623
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
methyl (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]pyrrolidine-2-carboxylate
CID 139928671
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
CID 112745083

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate (CID 115286566) is methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C(N)c1cccs1.
What is the InChIKey of methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate?
The InChIKey is TWYCWZIPFRINKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-18-13(17)9-5-2-3-7-15(9)12(16)11(14)10-6-4-8-19-10/h4,6,8-9,11H,2-3,5,7,14H2,1H3.
What are the key properties of methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate?
methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 115286566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).