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

C13H22N2O2 — CID 90327929

IUPACmethyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate
SMILESCOC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N
InChIInChI=1S/C13H22N2O2/c1-17-13(16)15-11-5-8-4-9-2-7(8)3-10(6-11)12(9)14/h7-12H,2-6,14H2,1H3,(H,15,16)/t7?,8?,9?,10?,11-,12+/m1/s1
InChIKeyRCBXJQHPFCYYCS-CKHLDDAESA-N
MW238.33 g/mol
LogP1.49
Rot. Bonds1

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

methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate (PubChem CID 90327929) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate
PubChem CID90327929
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namemethyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate
SMILESCOC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N
InChIInChI=1S/C13H22N2O2/c1-17-13(16)15-11-5-8-4-9-2-7(8)3-10(6-11)12(9)14/h7-12H,2-6,14H2,1H3,(H,15,16)/t7?,8?,9?,10?,11-,12+/m1/s1
InChIKeyRCBXJQHPFCYYCS-CKHLDDAESA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate?
The IUPAC name of methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate (CID 90327929) is methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate.
What is the SMILES notation for methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate?
The canonical SMILES for methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate is COC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N.
What is the InChIKey of methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate?
The InChIKey is RCBXJQHPFCYYCS-CKHLDDAESA-N. The full InChI is InChI=1S/C13H22N2O2/c1-17-13(16)15-11-5-8-4-9-2-7(8)3-10(6-11)12(9)14/h7-12H,2-6,14H2,1H3,(H,15,16)/t7?,8?,9?,10?,11-,12+/m1/s1.
What are the key properties of methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate?
methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate has a molecular weight of 238.33 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]carbamate is sourced from PubChem (CID 90327929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).