N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide

C13H22N2O — CID 90327918

IUPACN-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide
SMILESCC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N
InChIInChI=1S/C13H22N2O/c1-7(16)15-12-5-9-4-10-2-8(9)3-11(6-12)13(10)14/h8-13H,2-6,14H2,1H3,(H,15,16)/t8?,9?,10?,11?,12-,13+/m1/s1
InChIKeyKCDFUBFCFRRVRB-DRKGDNKPSA-N
MW222.33 g/mol
LogP1.27
Rot. Bonds1

About N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide

N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide (PubChem CID 90327918) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide.

Molecular Properties

Compound NameN-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide
PubChem CID90327918
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide
SMILESCC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N
InChIInChI=1S/C13H22N2O/c1-7(16)15-12-5-9-4-10-2-8(9)3-11(6-12)13(10)14/h8-13H,2-6,14H2,1H3,(H,15,16)/t8?,9?,10?,11?,12-,13+/m1/s1
InChIKeyKCDFUBFCFRRVRB-DRKGDNKPSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide?
The IUPAC name of N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide (CID 90327918) is N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide.
What is the SMILES notation for N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide?
The canonical SMILES for N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide is CC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N.
What is the InChIKey of N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide?
The InChIKey is KCDFUBFCFRRVRB-DRKGDNKPSA-N. The full InChI is InChI=1S/C13H22N2O/c1-7(16)15-12-5-9-4-10-2-8(9)3-11(6-12)13(10)14/h8-13H,2-6,14H2,1H3,(H,15,16)/t8?,9?,10?,11?,12-,13+/m1/s1.
What are the key properties of N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide?
N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide is sourced from PubChem (CID 90327918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).