(1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid

C15H23NO3 — CID 98083512

IUPAC(1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid
SMILESCC[C@@]12C[C@H]3C[C@@](NC(C)=O)(C1)C[C@@](C(=O)O)(C3)C2
InChIInChI=1S/C15H23NO3/c1-3-13-4-11-5-14(7-13,12(18)19)9-15(6-11,8-13)16-10(2)17/h11H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t11-,13+,14-,15-/m1/s1
InChIKeyHPMOYMFFMYKWGN-FAAHXZRKSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds3

About (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid

(1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid (PubChem CID 98083512) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid
PubChem CID98083512
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid
SMILESCC[C@@]12C[C@H]3C[C@@](NC(C)=O)(C1)C[C@@](C(=O)O)(C3)C2
InChIInChI=1S/C15H23NO3/c1-3-13-4-11-5-14(7-13,12(18)19)9-15(6-11,8-13)16-10(2)17/h11H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t11-,13+,14-,15-/m1/s1
InChIKeyHPMOYMFFMYKWGN-FAAHXZRKSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid?
The IUPAC name of (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid (CID 98083512) is (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid.
What is the SMILES notation for (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid?
The canonical SMILES for (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid is CC[C@@]12C[C@H]3C[C@@](NC(C)=O)(C1)C[C@@](C(=O)O)(C3)C2.
What is the InChIKey of (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid?
The InChIKey is HPMOYMFFMYKWGN-FAAHXZRKSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-13-4-11-5-14(7-13,12(18)19)9-15(6-11,8-13)16-10(2)17/h11H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t11-,13+,14-,15-/m1/s1.
What are the key properties of (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid?
(1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid is sourced from PubChem (CID 98083512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).