cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate

C20H25NO4 — CID 137463345

IUPACcyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
SMILESO=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OC1CCCC1
InChIInChI=1S/C20H25NO4/c22-18(25-15-7-1-2-8-15)12-24-20(23)21-19-16-9-3-5-13(16)11-14-6-4-10-17(14)19/h11,15H,1-10,12H2,(H,21,23)
InChIKeyFHKWZISKFBFEIV-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.70
Rot. Bonds4

About cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate

cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate (PubChem CID 137463345) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate.

Molecular Properties

Compound Namecyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
PubChem CID137463345
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namecyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
SMILESO=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OC1CCCC1
InChIInChI=1S/C20H25NO4/c22-18(25-15-7-1-2-8-15)12-24-20(23)21-19-16-9-3-5-13(16)11-14-6-4-10-17(14)19/h11,15H,1-10,12H2,(H,21,23)
InChIKeyFHKWZISKFBFEIV-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoate
CID 150754243
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-(oxan-4-yloxy)propanoate
CID 170188192
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
S-cyclobutylthiohydroxylamine;1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea
CID 154660432
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
CID 146515062
1-[(8-ethyl-3,8-diazabicyclo[3.2.1]octan-3-yl)sulfanyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146394415
cycloheptyl 2-(2-aminoethoxy)acetate
CID 79464005
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-2-ylsulfonylurea
CID 137403631
4-amino-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 146503652
CID 174088147
CID 174088147

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The IUPAC name of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate (CID 137463345) is cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate.
What is the SMILES notation for cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The canonical SMILES for cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate is O=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The InChIKey is FHKWZISKFBFEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-18(25-15-7-1-2-8-15)12-24-20(23)21-19-16-9-3-5-13(16)11-14-6-4-10-17(14)19/h11,15H,1-10,12H2,(H,21,23).
What are the key properties of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate has a molecular weight of 343.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate is sourced from PubChem (CID 137463345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).