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

C14H24N2O — CID 90327892

IUPACN-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide
SMILESCCC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N
InChIInChI=1S/C14H24N2O/c1-2-13(17)16-12-6-9-5-10-3-8(9)4-11(7-12)14(10)15/h8-12,14H,2-7,15H2,1H3,(H,16,17)/t8?,9?,10?,11?,12-,14+/m1/s1
InChIKeyPMMOUQQJGATPHT-NFNGDVIGSA-N
MW236.36 g/mol
LogP1.66
Rot. Bonds2

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

N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide (PubChem CID 90327892) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide.

Molecular Properties

Compound NameN-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide
PubChem CID90327892
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide
SMILESCCC(=O)N[C@@H]1CC2CC3CC2CC(C1)[C@H]3N
InChIInChI=1S/C14H24N2O/c1-2-13(17)16-12-6-9-5-10-3-8(9)4-11(7-12)14(10)15/h8-12,14H,2-7,15H2,1H3,(H,16,17)/t8?,9?,10?,11?,12-,14+/m1/s1
InChIKeyPMMOUQQJGATPHT-NFNGDVIGSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[3.2.1]octanyl)-2-methylpropanamide
CID 58682998
N-(3-bicyclo[3.2.1]octanyl)acetamide
CID 69228066
N-(2-bicyclo[3.2.1]octanyl)acetamide
CID 70343356
N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146747
N-(4-amino-1-tricyclo[5.3.1.03,9]undecanyl)acetamide
CID 71166315
11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide
CID 71179623
4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide
CID 89044870
N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide
CID 90327918
(2S)-2-[(1R,7S)-7-bicyclo[4.2.1]nonanyl]-N-propan-2-ylpropanamide
CID 132061966
3-amino-N-(3-bicyclo[3.2.1]octanyl)propanamide
CID 169637574
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylpropanamide
CID 4147901
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
CID 4246273

Frequently Asked Questions

What is the IUPAC name of N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide?
The IUPAC name of N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide (CID 90327892) is N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide.
What is the SMILES notation for N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide?
The canonical SMILES for N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide is CCC(=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]propanamide?
The InChIKey is PMMOUQQJGATPHT-NFNGDVIGSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-13(17)16-12-6-9-5-10-3-8(9)4-11(7-12)14(10)15/h8-12,14H,2-7,15H2,1H3,(H,16,17)/t8?,9?,10?,11?,12-,14+/m1/s1.
What are the key properties of N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide?
N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]propanamide has a molecular weight of 236.36 g/mol, XLogP of 1.66, 2 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]propanamide is sourced from PubChem (CID 90327892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).