cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate

C18H18NO2- — CID 6944468

IUPACcis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate
SMILESO=C([O-])[C@]1(c2ccccc2)CC[C@@H](Nc2ccccc2)C1
InChIInChI=1S/C18H19NO2/c20-17(21)18(14-7-3-1-4-8-14)12-11-16(13-18)19-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/p-1/t16-,18-/m1/s1
InChIKeyHTLWNNFFJOTFAH-SJLPKXTDSA-M
MW280.35 g/mol
LogP2.34
Rot. Bonds4

About cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate

cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate (PubChem CID 6944468) has the molecular formula C18H18NO2- and a molecular weight of 280.35 g/mol. Its IUPAC name is cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate
PubChem CID6944468
Molecular FormulaC18H18NO2-
Molecular Weight280.35 g/mol
Exact Mass280.13
IUPAC Namecis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate
SMILESO=C([O-])[C@]1(c2ccccc2)CC[C@@H](Nc2ccccc2)C1
InChIInChI=1S/C18H19NO2/c20-17(21)18(14-7-3-1-4-8-14)12-11-16(13-18)19-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/p-1/t16-,18-/m1/s1
InChIKeyHTLWNNFFJOTFAH-SJLPKXTDSA-M
XLogP2.34
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate?
The IUPAC name of cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate (CID 6944468) is cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate is O=C([O-])[C@]1(c2ccccc2)CC[C@@H](Nc2ccccc2)C1.
What is the InChIKey of cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate?
The InChIKey is HTLWNNFFJOTFAH-SJLPKXTDSA-M. The full InChI is InChI=1S/C18H19NO2/c20-17(21)18(14-7-3-1-4-8-14)12-11-16(13-18)19-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/p-1/t16-,18-/m1/s1.
What are the key properties of cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate?
cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 6944468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).