cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate

C15H22N2O3S — CID 99842691

IUPACcis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H](C)Cc2cccs2)C1
InChIInChI=1S/C15H22N2O3S/c1-10(8-13-4-3-7-21-13)16-15(19)17-12-6-5-11(9-12)14(18)20-2/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H2,16,17,19)/t10-,11+,12-/m1/s1
InChIKeyZOGBGXFHFDRHDP-GRYCIOLGSA-N
MW310.42 g/mol
LogP2.32
Rot. Bonds5

About cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate

cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate (PubChem CID 99842691) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate
PubChem CID99842691
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namecis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H](C)Cc2cccs2)C1
InChIInChI=1S/C15H22N2O3S/c1-10(8-13-4-3-7-21-13)16-15(19)17-12-6-5-11(9-12)14(18)20-2/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H2,16,17,19)/t10-,11+,12-/m1/s1
InChIKeyZOGBGXFHFDRHDP-GRYCIOLGSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate (CID 99842691) is cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate is COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H](C)Cc2cccs2)C1.
What is the InChIKey of cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate?
The InChIKey is ZOGBGXFHFDRHDP-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(8-13-4-3-7-21-13)16-15(19)17-12-6-5-11(9-12)14(18)20-2/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H2,16,17,19)/t10-,11+,12-/m1/s1.
What are the key properties of cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate?
cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 99842691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).