(7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid

C16H23NO3 — CID 101476302

IUPAC(7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid
SMILESC[C@H]1C[C@]23C4=CC1CN2CCC[C@@H]3[C@H](O)C[C@@H]4C(=O)O
InChIInChI=1S/C16H23NO3/c1-9-7-16-12-3-2-4-17(16)8-10(9)5-13(16)11(15(19)20)6-14(12)18/h5,9-12,14,18H,2-4,6-8H2,1H3,(H,19,20)/t9-,10?,11-,12+,14+,16-/m0/s1
InChIKeyPBWADGLOXCLHLK-OQHOUTLYSA-N
MW277.36 g/mol
LogP1.50
Rot. Bonds1

About (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid

(7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid (PubChem CID 101476302) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid.

Molecular Properties

Compound Name(7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid
PubChem CID101476302
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid
SMILESC[C@H]1C[C@]23C4=CC1CN2CCC[C@@H]3[C@H](O)C[C@@H]4C(=O)O
InChIInChI=1S/C16H23NO3/c1-9-7-16-12-3-2-4-17(16)8-10(9)5-13(16)11(15(19)20)6-14(12)18/h5,9-12,14,18H,2-4,6-8H2,1H3,(H,19,20)/t9-,10?,11-,12+,14+,16-/m0/s1
InChIKeyPBWADGLOXCLHLK-OQHOUTLYSA-N
XLogP1.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid?
The IUPAC name of (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid (CID 101476302) is (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid.
What is the SMILES notation for (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid?
The canonical SMILES for (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid is C[C@H]1C[C@]23C4=CC1CN2CCC[C@@H]3[C@H](O)C[C@@H]4C(=O)O.
What is the InChIKey of (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid?
The InChIKey is PBWADGLOXCLHLK-OQHOUTLYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-9-7-16-12-3-2-4-17(16)8-10(9)5-13(16)11(15(19)20)6-14(12)18/h5,9-12,14,18H,2-4,6-8H2,1H3,(H,19,20)/t9-,10?,11-,12+,14+,16-/m0/s1.
What are the key properties of (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid?
(7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-11(15)-ene-10-carboxylic acid is sourced from PubChem (CID 101476302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).