cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide

C13H16N4O2 — CID 56898416

IUPACcis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NCc2ccc3nonc3c2)C1
InChIInChI=1S/C13H16N4O2/c14-10-3-2-9(6-10)13(18)15-7-8-1-4-11-12(5-8)17-19-16-11/h1,4-5,9-10H,2-3,6-7,14H2,(H,15,18)/t9-,10+/m0/s1
InChIKeyDXYGXZGCPONFRS-VHSXEESVSA-N
MW260.30 g/mol
LogP0.97
Rot. Bonds3

About cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 56898416) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide
PubChem CID56898416
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namecis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NCc2ccc3nonc3c2)C1
InChIInChI=1S/C13H16N4O2/c14-10-3-2-9(6-10)13(18)15-7-8-1-4-11-12(5-8)17-19-16-11/h1,4-5,9-10H,2-3,6-7,14H2,(H,15,18)/t9-,10+/m0/s1
InChIKeyDXYGXZGCPONFRS-VHSXEESVSA-N
XLogP0.97
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide (CID 56898416) is cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide is N[C@@H]1CC[C@H](C(=O)NCc2ccc3nonc3c2)C1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is DXYGXZGCPONFRS-VHSXEESVSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-10-3-2-9(6-10)13(18)15-7-8-1-4-11-12(5-8)17-19-16-11/h1,4-5,9-10H,2-3,6-7,14H2,(H,15,18)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-(2,1,3-benzoxadiazol-5-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56898416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).