(10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid

C20H25NO4Si — CID 139819652

IUPAC(10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C3c4ccccc4CC[C@H]3[C@H]12
InChIInChI=1S/C20H25NO4Si/c1-11(25-26(2,3)4)15-17-14-10-9-12-7-5-6-8-13(12)16(14)18(20(23)24)21(17)19(15)22/h5-8,11,14-15,17H,9-10H2,1-4H3,(H,23,24)/t11-,14-,15-,17-/m1/s1
InChIKeyRUPKCCSMHYNXQY-BNGXUDDSSA-N
MW371.51 g/mol
LogP3.13
Rot. Bonds4

About (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid

(10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid (PubChem CID 139819652) has the molecular formula C20H25NO4Si and a molecular weight of 371.51 g/mol. Its IUPAC name is (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid.

Molecular Properties

Compound Name(10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid
PubChem CID139819652
Molecular FormulaC20H25NO4Si
Molecular Weight371.51 g/mol
Exact Mass371.16
IUPAC Name(10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C3c4ccccc4CC[C@H]3[C@H]12
InChIInChI=1S/C20H25NO4Si/c1-11(25-26(2,3)4)15-17-14-10-9-12-7-5-6-8-13(12)16(14)18(20(23)24)21(17)19(15)22/h5-8,11,14-15,17H,9-10H2,1-4H3,(H,23,24)/t11-,14-,15-,17-/m1/s1
InChIKeyRUPKCCSMHYNXQY-BNGXUDDSSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-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

Related Compounds

(1R,2R,3S)-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]-5-azatricyclo[5.5.0.02,5]dodec-6-ene-6-carboxylic acid
CID 67797404
6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 67908531
(4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 22851424
prop-2-enyl (6S,7R,8R)-6-[(1R)-1-hydroxyethyl]-5-oxo-4,12-diazapentacyclo[9.8.0.02,8.04,7.013,18]nonadeca-1(19),2,11,13,15,17-hexaene-3-carboxylate
CID 101057887
2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid
CID 67782276
(4R,5S,6S)-3-[[4-[(2R)-1,2-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-thiazol-2-yl]sulfanyl]-4-methyl-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 69421483
(5R,6S)-3-[4-[2-(methylamino)-2-oxoethyl]phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 69414570
prop-2-enyl (1S,2S,3S)-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]-8,11-dithia-5-azatricyclo[5.4.0.02,5]undec-6-ene-6-carboxylate
CID 15238387
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
1-(1-hydroxyethyl)-5-(2-iodophenoxy)-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid
CID 59951138
(4S,5R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-imidazo[5,1-b][1,3]thiazol-2-yl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 20698606
(4R,5S,6S)-3-diphenoxyphosphoryl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 22844183

Frequently Asked Questions

What is the IUPAC name of (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid?
The IUPAC name of (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid (CID 139819652) is (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid.
What is the SMILES notation for (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid?
The canonical SMILES for (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid is C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C3c4ccccc4CC[C@H]3[C@H]12.
What is the InChIKey of (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid?
The InChIKey is RUPKCCSMHYNXQY-BNGXUDDSSA-N. The full InChI is InChI=1S/C20H25NO4Si/c1-11(25-26(2,3)4)15-17-14-10-9-12-7-5-6-8-13(12)16(14)18(20(23)24)21(17)19(15)22/h5-8,11,14-15,17H,9-10H2,1-4H3,(H,23,24)/t11-,14-,15-,17-/m1/s1.
What are the key properties of (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid?
(10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid has a molecular weight of 371.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid is sourced from PubChem (CID 139819652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).